cis-(1R,2S)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]cycloheptane-1-carboxamide

C15H26N4O2 — CID 99713150

IUPACcis-(1R,2S)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]cycloheptane-1-carboxamide
SMILESCC(C)Cc1noc(CN[C@H]2CCCCC[C@H]2C(N)=O)n1
InChIInChI=1S/C15H26N4O2/c1-10(2)8-13-18-14(21-19-13)9-17-12-7-5-3-4-6-11(12)15(16)20/h10-12,17H,3-9H2,1-2H3,(H2,16,20)/t11-,12+/m1/s1
InChIKeyTXXBLQSVDMJJCA-NEPJUHHUSA-N
MW294.40 g/mol
LogP1.79
Rot. Bonds6

About cis-(1R,2S)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]cycloheptane-1-carboxamide

cis-(1R,2S)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]cycloheptane-1-carboxamide (PubChem CID 99713150) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]cycloheptane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]cycloheptane-1-carboxamide
PubChem CID99713150
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Namecis-(1R,2S)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]cycloheptane-1-carboxamide
SMILESCC(C)Cc1noc(CN[C@H]2CCCCC[C@H]2C(N)=O)n1
InChIInChI=1S/C15H26N4O2/c1-10(2)8-13-18-14(21-19-13)9-17-12-7-5-3-4-6-11(12)15(16)20/h10-12,17H,3-9H2,1-2H3,(H2,16,20)/t11-,12+/m1/s1
InChIKeyTXXBLQSVDMJJCA-NEPJUHHUSA-N
XLogP1.79
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1R,2S)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]cycloheptane-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

2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carboxamide
CID 86802324
cis-(1R,2S)-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]cycloheptane-1-carboxamide
CID 124864971
1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 43655518
[(1R,2S)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]cycloheptyl]methanol
CID 99613956
trans-methyl (1R,2R)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]cycloheptane-1-carboxylate
CID 99716354
(2S)-N-cyclopentyl-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide
CID 95147928
N-cyclohexyl-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 55918894
2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103979771
N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 60724943
1-(furan-2-ylmethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 71876869
cis-(1S,2R)-2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide
CID 99586249
2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide
CID 86790349

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]cycloheptane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]cycloheptane-1-carboxamide (CID 99713150) is cis-(1R,2S)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]cycloheptane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]cycloheptane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]cycloheptane-1-carboxamide is CC(C)Cc1noc(CN[C@H]2CCCCC[C@H]2C(N)=O)n1.
What is the InChIKey of cis-(1R,2S)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]cycloheptane-1-carboxamide?
The InChIKey is TXXBLQSVDMJJCA-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-10(2)8-13-18-14(21-19-13)9-17-12-7-5-3-4-6-11(12)15(16)20/h10-12,17H,3-9H2,1-2H3,(H2,16,20)/t11-,12+/m1/s1.
What are the key properties of cis-(1R,2S)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]cycloheptane-1-carboxamide?
cis-(1R,2S)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]cycloheptane-1-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]cycloheptane-1-carboxamide is sourced from PubChem (CID 99713150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).