cis-(1R,3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[(2-methoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide

C23H25N3O4 — CID 56675411

IUPACcis-(1R,3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[(2-methoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide
SMILESCOCC(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nc4ccccc4o3)cc2)C1
InChIInChI=1S/C23H25N3O4/c1-26(23(28)16-7-10-17(13-16)24-21(27)14-29-2)18-11-8-15(9-12-18)22-25-19-5-3-4-6-20(19)30-22/h3-6,8-9,11-12,16-17H,7,10,13-14H2,1-2H3,(H,24,27)/t16-,17+/m1/s1
InChIKeyBOPUZXPMNOAYAM-SJORKVTESA-N
MW407.47 g/mol
LogP3.39
Rot. Bonds6

About cis-(1R,3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[(2-methoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide

cis-(1R,3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[(2-methoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide (PubChem CID 56675411) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is cis-(1R,3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[(2-methoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[(2-methoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide
PubChem CID56675411
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Namecis-(1R,3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[(2-methoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide
SMILESCOCC(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nc4ccccc4o3)cc2)C1
InChIInChI=1S/C23H25N3O4/c1-26(23(28)16-7-10-17(13-16)24-21(27)14-29-2)18-11-8-15(9-12-18)22-25-19-5-3-4-6-20(19)30-22/h3-6,8-9,11-12,16-17H,7,10,13-14H2,1-2H3,(H,24,27)/t16-,17+/m1/s1
InChIKeyBOPUZXPMNOAYAM-SJORKVTESA-N
XLogP3.39
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cis-(1R,3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[(2-methoxyacetyl)amino]-N-methylcyclopentane-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

4-(1,3-benzoxazol-2-yl)-N-[3-(dimethylcarbamoyl)cyclopentyl]-N-methylbenzamide
CID 123990017
N-[(1S,3R)-3-[[2-[4-(1,3-benzoxazol-2-yl)phenyl]-2-oxoethyl]-methylamino]cyclopentyl]-2-methylpropanamide
CID 144760209
4-(1,3-benzoxazol-2-yl)-N-[(1R,3R)-3-(ethylcarbamoyl)cyclopentyl]-N-methylbenzamide
CID 75202997
4-(1,3-benzoxazol-2-yl)-N-[(1R,3S)-3-[[(2S)-butan-2-yl]carbamoyl]cyclopentyl]-N-methylbenzamide
CID 75203997
4-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1R)-3-(propan-2-ylcarbamoyl)cyclopentyl]benzamide
CID 122576366
5-(1,3-benzoxazol-2-yl)-4-methoxy-N-methyl-N-[(3S)-3-(propanoylamino)cyclopentyl]cyclohepta-1,4,6-triene-1-carboxamide;molecular hydrogen
CID 144760307
4-(1,3-benzoxazol-2-yl)-N-[(1R,3S)-3-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentyl]-N-methylbenzamide
CID 75204237
4-(1,3-benzoxazol-2-yl)-N-benzyl-N-[(1R,3S)-3-(ethylcarbamoyl)cyclopentyl]benzamide
CID 90156726
2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-cyclopropylacetamide
CID 8910060
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-propanoylpiperidine-2-carboxamide
CID 129380761
N-[3-[amino-[(Z)-2-amino-1-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]amino]cyclopentyl]formamide
CID 154652917
ethyl 4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 24599468

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[(2-methoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[(2-methoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide (CID 56675411) is cis-(1R,3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[(2-methoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[(2-methoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[(2-methoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide is COCC(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nc4ccccc4o3)cc2)C1.
What is the InChIKey of cis-(1R,3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[(2-methoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide?
The InChIKey is BOPUZXPMNOAYAM-SJORKVTESA-N. The full InChI is InChI=1S/C23H25N3O4/c1-26(23(28)16-7-10-17(13-16)24-21(27)14-29-2)18-11-8-15(9-12-18)22-25-19-5-3-4-6-20(19)30-22/h3-6,8-9,11-12,16-17H,7,10,13-14H2,1-2H3,(H,24,27)/t16-,17+/m1/s1.
What are the key properties of cis-(1R,3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[(2-methoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide?
cis-(1R,3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[(2-methoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[(2-methoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 56675411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).