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

C19H25N3O3 — CID 69204866

IUPACcis-(1R,2S)-2-amino-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
SMILESCCC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1N)C(=O)c1nc2ccccc2o1
InChIInChI=1S/C19H25N3O3/c1-2-7-15(21-18(24)12-8-3-4-9-13(12)20)17(23)19-22-14-10-5-6-11-16(14)25-19/h5-6,10-13,15H,2-4,7-9,20H2,1H3,(H,21,24)/t12-,13+,15+/m1/s1
InChIKeyGCGQZKRPHTZYPN-IPYPFGDCSA-N
MW343.43 g/mol
LogP2.81
Rot. Bonds6

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

cis-(1R,2S)-2-amino-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]cyclohexane-1-carboxamide (PubChem CID 69204866) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is cis-(1R,2S)-2-amino-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-amino-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
PubChem CID69204866
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Namecis-(1R,2S)-2-amino-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
SMILESCCC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1N)C(=O)c1nc2ccccc2o1
InChIInChI=1S/C19H25N3O3/c1-2-7-15(21-18(24)12-8-3-4-9-13(12)20)17(23)19-22-14-10-5-6-11-16(14)25-19/h5-6,10-13,15H,2-4,7-9,20H2,1H3,(H,21,24)/t12-,13+,15+/m1/s1
InChIKeyGCGQZKRPHTZYPN-IPYPFGDCSA-N
XLogP2.81
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-amino-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-amino-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]cyclohexane-1-carboxamide (CID 69204866) is cis-(1R,2S)-2-amino-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-amino-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-amino-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]cyclohexane-1-carboxamide is CCC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1N)C(=O)c1nc2ccccc2o1.
What is the InChIKey of cis-(1R,2S)-2-amino-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is GCGQZKRPHTZYPN-IPYPFGDCSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-2-7-15(21-18(24)12-8-3-4-9-13(12)20)17(23)19-22-14-10-5-6-11-16(14)25-19/h5-6,10-13,15H,2-4,7-9,20H2,1H3,(H,21,24)/t12-,13+,15+/m1/s1.
What are the key properties of cis-(1R,2S)-2-amino-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]cyclohexane-1-carboxamide?
cis-(1R,2S)-2-amino-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.81, 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-amino-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 69204866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).