formic acid;(1S,3R,4R)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(propanoylamino)-3-propoxycyclohexane-1-carboxamide

C19H32N4O7 — CID 163338210

IUPACformic acid;(1S,3R,4R)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(propanoylamino)-3-propoxycyclohexane-1-carboxamide
SMILESCCCO[C@@H]1C[C@@H](C(=O)NCc2nc(COC)no2)CC[C@H]1NC(=O)CC.O=CO
InChIInChI=1S/C18H30N4O5.CH2O2/c1-4-8-26-14-9-12(6-7-13(14)20-16(23)5-2)18(24)19-10-17-21-15(11-25-3)22-27-17;2-1-3/h12-14H,4-11H2,1-3H3,(H,19,24)(H,20,23);1H,(H,2,3)/t12-,13+,14+;/m0./s1
InChIKeyMJXXTWCVOUACIB-SOIKFHLCSA-N
MW428.49 g/mol
LogP1.02
Rot. Bonds10

About formic acid;(1S,3R,4R)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(propanoylamino)-3-propoxycyclohexane-1-carboxamide

formic acid;(1S,3R,4R)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(propanoylamino)-3-propoxycyclohexane-1-carboxamide (PubChem CID 163338210) has the molecular formula C19H32N4O7 and a molecular weight of 428.49 g/mol. Its IUPAC name is formic acid;(1S,3R,4R)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(propanoylamino)-3-propoxycyclohexane-1-carboxamide.

Molecular Properties

Compound Nameformic acid;(1S,3R,4R)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(propanoylamino)-3-propoxycyclohexane-1-carboxamide
PubChem CID163338210
Molecular FormulaC19H32N4O7
Molecular Weight428.49 g/mol
Exact Mass428.23
IUPAC Nameformic acid;(1S,3R,4R)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(propanoylamino)-3-propoxycyclohexane-1-carboxamide
SMILESCCCO[C@@H]1C[C@@H](C(=O)NCc2nc(COC)no2)CC[C@H]1NC(=O)CC.O=CO
InChIInChI=1S/C18H30N4O5.CH2O2/c1-4-8-26-14-9-12(6-7-13(14)20-16(23)5-2)18(24)19-10-17-21-15(11-25-3)22-27-17;2-1-3/h12-14H,4-11H2,1-3H3,(H,19,24)(H,20,23);1H,(H,2,3)/t12-,13+,14+;/m0./s1
InChIKeyMJXXTWCVOUACIB-SOIKFHLCSA-N
XLogP1.02
TPSA152.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;(1S,3R,4R)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(propanoylamino)-3-propoxycyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,3R,4R)-4-(methanesulfonamido)-3-methoxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxamide
CID 163315676
(1S,3R,4R)-4-(ethylcarbamoylamino)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-propoxycyclohexane-1-carboxamide
CID 155505918
2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 122556066
(1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide
CID 154820587
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550470
cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092025
(1S,3R,4R)-4-(oxan-4-ylamino)-3-propoxy-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide
CID 157018454
(1S,3R,4R)-4-amino-N-[(3,4-dichlorophenyl)methyl]-3-propoxycyclohexane-1-carboxamide;formic acid
CID 155939771
(1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 163334504
1-cyclohexyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 68997154
(1S,3R,4R)-N-cyclopropyl-4-[3-(5-methyltetrazol-1-yl)propanoylamino]-3-propoxycyclohexane-1-carboxamide
CID 155492536
2-amino-N-[(1S,2S,4S)-4-(2-methylpropylcarbamoyl)-2-propoxycyclohexyl]-1,3-thiazole-4-carboxamide
CID 157017910

Frequently Asked Questions

What is the IUPAC name of formic acid;(1S,3R,4R)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(propanoylamino)-3-propoxycyclohexane-1-carboxamide?
The IUPAC name of formic acid;(1S,3R,4R)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(propanoylamino)-3-propoxycyclohexane-1-carboxamide (CID 163338210) is formic acid;(1S,3R,4R)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(propanoylamino)-3-propoxycyclohexane-1-carboxamide.
What is the SMILES notation for formic acid;(1S,3R,4R)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(propanoylamino)-3-propoxycyclohexane-1-carboxamide?
The canonical SMILES for formic acid;(1S,3R,4R)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(propanoylamino)-3-propoxycyclohexane-1-carboxamide is CCCO[C@@H]1C[C@@H](C(=O)NCc2nc(COC)no2)CC[C@H]1NC(=O)CC.O=CO.
What is the InChIKey of formic acid;(1S,3R,4R)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(propanoylamino)-3-propoxycyclohexane-1-carboxamide?
The InChIKey is MJXXTWCVOUACIB-SOIKFHLCSA-N. The full InChI is InChI=1S/C18H30N4O5.CH2O2/c1-4-8-26-14-9-12(6-7-13(14)20-16(23)5-2)18(24)19-10-17-21-15(11-25-3)22-27-17;2-1-3/h12-14H,4-11H2,1-3H3,(H,19,24)(H,20,23);1H,(H,2,3)/t12-,13+,14+;/m0./s1.
What are the key properties of formic acid;(1S,3R,4R)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(propanoylamino)-3-propoxycyclohexane-1-carboxamide?
formic acid;(1S,3R,4R)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(propanoylamino)-3-propoxycyclohexane-1-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 1.02, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;(1S,3R,4R)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(propanoylamino)-3-propoxycyclohexane-1-carboxamide is sourced from PubChem (CID 163338210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).