cis-(1R,2S)-2-[[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide

C16H21N3O2 — CID 129429911

IUPACcis-(1R,2S)-2-[[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide
SMILESC[C@H](N[C@H]1CCCC[C@H]1C(N)=O)c1nc2ccccc2o1
InChIInChI=1S/C16H21N3O2/c1-10(16-19-13-8-4-5-9-14(13)21-16)18-12-7-3-2-6-11(12)15(17)20/h4-5,8-12,18H,2-3,6-7H2,1H3,(H2,17,20)/t10-,11+,12-/m0/s1
InChIKeyLQSWBGCZDHJDRU-TUAOUCFPSA-N
MW287.36 g/mol
LogP2.52
Rot. Bonds4

About cis-(1R,2S)-2-[[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide

cis-(1R,2S)-2-[[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide (PubChem CID 129429911) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide
PubChem CID129429911
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Namecis-(1R,2S)-2-[[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide
SMILESC[C@H](N[C@H]1CCCC[C@H]1C(N)=O)c1nc2ccccc2o1
InChIInChI=1S/C16H21N3O2/c1-10(16-19-13-8-4-5-9-14(13)21-16)18-12-7-3-2-6-11(12)15(17)20/h4-5,8-12,18H,2-3,6-7H2,1H3,(H2,17,20)/t10-,11+,12-/m0/s1
InChIKeyLQSWBGCZDHJDRU-TUAOUCFPSA-N
XLogP2.52
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-2-[[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]amino]cyclohexane-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

trans-(1R,2R)-2-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide
CID 129429942
N-[1-(1,3-benzoxazol-2-yl)ethyl]cyclohexanecarboxamide
CID 110278943
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 110278979
2-[1-(1-phenyltetrazol-5-yl)ethylamino]cyclohexane-1-carboxamide
CID 86803770
N-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 110278958
N-[2-[1-(1,3-benzoxazol-2-yl)ethylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 110278870
cis-(1S,2R)-2-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]cyclohexane-1,2-dicarboxamide
CID 69204860
N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 110278820
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,2-dimethylbutanamide
CID 110278975
trans-(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 11020794
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 10933381
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine;trans-ethyl (1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclohexane-1-carboxylate
CID 159534838

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-[[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide (CID 129429911) is cis-(1R,2S)-2-[[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-[[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-[[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide is C[C@H](N[C@H]1CCCC[C@H]1C(N)=O)c1nc2ccccc2o1.
What is the InChIKey of cis-(1R,2S)-2-[[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide?
The InChIKey is LQSWBGCZDHJDRU-TUAOUCFPSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(16-19-13-8-4-5-9-14(13)21-16)18-12-7-3-2-6-11(12)15(17)20/h4-5,8-12,18H,2-3,6-7H2,1H3,(H2,17,20)/t10-,11+,12-/m0/s1.
What are the key properties of cis-(1R,2S)-2-[[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide?
cis-(1R,2S)-2-[[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 129429911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).