N-[(1R,2R,4S)-2-hydroxy-4-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylcarbamoyl]cyclohexyl]-1-methylpyrrole-2-carboxamide

C18H25N5O5 — CID 155913195

IUPACN-[(1R,2R,4S)-2-hydroxy-4-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylcarbamoyl]cyclohexyl]-1-methylpyrrole-2-carboxamide
SMILESCc1nonc1OCCNC(=O)[C@H]1CC[C@@H](NC(=O)c2cccn2C)[C@H](O)C1
InChIInChI=1S/C18H25N5O5/c1-11-18(22-28-21-11)27-9-7-19-16(25)12-5-6-13(15(24)10-12)20-17(26)14-4-3-8-23(14)2/h3-4,8,12-13,15,24H,5-7,9-10H2,1-2H3,(H,19,25)(H,20,26)/t12-,13+,15+/m0/s1
InChIKeyDLWPAYIRFHADNC-GZBFAFLISA-N
MW391.43 g/mol
LogP0.17
Rot. Bonds7

About N-[(1R,2R,4S)-2-hydroxy-4-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylcarbamoyl]cyclohexyl]-1-methylpyrrole-2-carboxamide

N-[(1R,2R,4S)-2-hydroxy-4-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylcarbamoyl]cyclohexyl]-1-methylpyrrole-2-carboxamide (PubChem CID 155913195) has the molecular formula C18H25N5O5 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-hydroxy-4-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylcarbamoyl]cyclohexyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-hydroxy-4-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylcarbamoyl]cyclohexyl]-1-methylpyrrole-2-carboxamide
PubChem CID155913195
Molecular FormulaC18H25N5O5
Molecular Weight391.43 g/mol
Exact Mass391.19
IUPAC NameN-[(1R,2R,4S)-2-hydroxy-4-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylcarbamoyl]cyclohexyl]-1-methylpyrrole-2-carboxamide
SMILESCc1nonc1OCCNC(=O)[C@H]1CC[C@@H](NC(=O)c2cccn2C)[C@H](O)C1
InChIInChI=1S/C18H25N5O5/c1-11-18(22-28-21-11)27-9-7-19-16(25)12-5-6-13(15(24)10-12)20-17(26)14-4-3-8-23(14)2/h3-4,8,12-13,15,24H,5-7,9-10H2,1-2H3,(H,19,25)(H,20,26)/t12-,13+,15+/m0/s1
InChIKeyDLWPAYIRFHADNC-GZBFAFLISA-N
XLogP0.17
TPSA131.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(1S,3S,4S)-3-hydroxy-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-4-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxamide
CID 156586244
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 56899511
(4aR,6S,8aR)-4-(3-hydroxypropanoyl)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide
CID 157014637
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72891115
(1R)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide
CID 126423652
1-methyl-N-[4-(2-pyrazin-2-ylethylcarbamoyl)cyclohexyl]pyrrole-2-carboxamide
CID 169414482
(3R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97155545
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]isoquinoline-1-carboxamide
CID 119069013
N-[(1R,2R,5S)-5-(3-hydroxypropylcarbamoyl)-2-propoxycyclohexyl]-2-methylpyridine-3-carboxamide
CID 155919666
N-[(1S,2S,4S)-2-hydroxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyridine-2-carboxamide
CID 157014672
formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-1-methylimidazole-4-carboxamide
CID 155972637
(1S,3R,4R)-3-hydroxy-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]-N-propylcyclohexane-1-carboxamide
CID 155910124

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-hydroxy-4-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylcarbamoyl]cyclohexyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[(1R,2R,4S)-2-hydroxy-4-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylcarbamoyl]cyclohexyl]-1-methylpyrrole-2-carboxamide (CID 155913195) is N-[(1R,2R,4S)-2-hydroxy-4-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylcarbamoyl]cyclohexyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-hydroxy-4-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylcarbamoyl]cyclohexyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[(1R,2R,4S)-2-hydroxy-4-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylcarbamoyl]cyclohexyl]-1-methylpyrrole-2-carboxamide is Cc1nonc1OCCNC(=O)[C@H]1CC[C@@H](NC(=O)c2cccn2C)[C@H](O)C1.
What is the InChIKey of N-[(1R,2R,4S)-2-hydroxy-4-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylcarbamoyl]cyclohexyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is DLWPAYIRFHADNC-GZBFAFLISA-N. The full InChI is InChI=1S/C18H25N5O5/c1-11-18(22-28-21-11)27-9-7-19-16(25)12-5-6-13(15(24)10-12)20-17(26)14-4-3-8-23(14)2/h3-4,8,12-13,15,24H,5-7,9-10H2,1-2H3,(H,19,25)(H,20,26)/t12-,13+,15+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-hydroxy-4-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylcarbamoyl]cyclohexyl]-1-methylpyrrole-2-carboxamide?
N-[(1R,2R,4S)-2-hydroxy-4-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylcarbamoyl]cyclohexyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-hydroxy-4-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylcarbamoyl]cyclohexyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 155913195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).