N-[(1S)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide

C23H25N3O4 — CID 7383521

IUPACN-[(1S)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide
SMILESCc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccno2)c2ccccc2)o1
InChIInChI=1S/C23H25N3O4/c1-16-12-13-19(29-16)21(22(27)25-17-8-4-2-5-9-17)26(18-10-6-3-7-11-18)23(28)20-14-15-24-30-20/h3,6-7,10-15,17,21H,2,4-5,8-9H2,1H3,(H,25,27)/t21-/m0/s1
InChIKeyYIXVZMRFNBHRKR-NRFANRHFSA-N
MW407.47 g/mol
LogP4.41
Rot. Bonds6

About N-[(1S)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide

N-[(1S)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 7383521) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[(1S)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide
PubChem CID7383521
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-[(1S)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide
SMILESCc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccno2)c2ccccc2)o1
InChIInChI=1S/C23H25N3O4/c1-16-12-13-19(29-16)21(22(27)25-17-8-4-2-5-9-17)26(18-10-6-3-7-11-18)23(28)20-14-15-24-30-20/h3,6-7,10-15,17,21H,2,4-5,8-9H2,1H3,(H,25,27)/t21-/m0/s1
InChIKeyYIXVZMRFNBHRKR-NRFANRHFSA-N
XLogP4.41
TPSA88.58 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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1,2-oxazole-5-carboxamide
CID 1449878
N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide
CID 1467625
N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3191433
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide
CID 1152283
4-amino-5-N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-N-(3-fluorophenyl)-1,2-thiazole-3,5-dicarboxamide
CID 23960871
N-cyclopentyl-2-(5-methylfuran-2-yl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
CID 3180366
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-4-ethoxyanilino)-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide
CID 1152290
4-amino-5-N-[(1R)-2-(benzylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-N-cyclohexyl-5-N-(3-fluorophenyl)-1,2-thiazole-3,5-dicarboxamide
CID 98092254
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
CID 3178173
N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219271
N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 25410502
(2S)-N-cyclohexyl-2-(4-methoxy-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide
CID 25309067

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(1S)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide (CID 7383521) is N-[(1S)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(1S)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide is Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccno2)c2ccccc2)o1.
What is the InChIKey of N-[(1S)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is YIXVZMRFNBHRKR-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-16-12-13-19(29-16)21(22(27)25-17-8-4-2-5-9-17)26(18-10-6-3-7-11-18)23(28)20-14-15-24-30-20/h3,6-7,10-15,17,21H,2,4-5,8-9H2,1H3,(H,25,27)/t21-/m0/s1.
What are the key properties of N-[(1S)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide?
N-[(1S)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 7383521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).