N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

C27H27N3O4 — CID 39969584

IUPACN-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2ccc3noc(-c4ccccc4)c3c2)N2CCOCC2)cc1
InChIInChI=1S/C27H27N3O4/c1-32-22-10-7-19(8-11-22)25(30-13-15-33-16-14-30)18-28-27(31)21-9-12-24-23(17-21)26(34-29-24)20-5-3-2-4-6-20/h2-12,17,25H,13-16,18H2,1H3,(H,28,31)/t25-/m1/s1
InChIKeyIMVXSRVGZDSEGS-RUZDIDTESA-N
MW457.53 g/mol
LogP4.31
Rot. Bonds7

About N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 39969584) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
PubChem CID39969584
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC NameN-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2ccc3noc(-c4ccccc4)c3c2)N2CCOCC2)cc1
InChIInChI=1S/C27H27N3O4/c1-32-22-10-7-19(8-11-22)25(30-13-15-33-16-14-30)18-28-27(31)21-9-12-24-23(17-21)26(34-29-24)20-5-3-2-4-6-20/h2-12,17,25H,13-16,18H2,1H3,(H,28,31)/t25-/m1/s1
InChIKeyIMVXSRVGZDSEGS-RUZDIDTESA-N
XLogP4.31
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide
CID 30530459
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide
CID 95343423
3-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 18161673
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 7496625
4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 30530200
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460638
3-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011132
3-methoxy-N-[(2S)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 35576988

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 39969584) is N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide is COc1ccc([C@@H](CNC(=O)c2ccc3noc(-c4ccccc4)c3c2)N2CCOCC2)cc1.
What is the InChIKey of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is IMVXSRVGZDSEGS-RUZDIDTESA-N. The full InChI is InChI=1S/C27H27N3O4/c1-32-22-10-7-19(8-11-22)25(30-13-15-33-16-14-30)18-28-27(31)21-9-12-24-23(17-21)26(34-29-24)20-5-3-2-4-6-20/h2-12,17,25H,13-16,18H2,1H3,(H,28,31)/t25-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 39969584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).