N-[2-[4-[[[(2R)-2-methoxy-2-phenylacetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide

C27H25N3O4 — CID 42433589

IUPACN-[2-[4-[[[(2R)-2-methoxy-2-phenylacetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide
SMILESCO[C@@H](C(=O)NCc1nc(-c2ccccc2NC(=O)c2ccccc2)oc1C)c1ccccc1
InChIInChI=1S/C27H25N3O4/c1-18-23(17-28-26(32)24(33-2)19-11-5-3-6-12-19)30-27(34-18)21-15-9-10-16-22(21)29-25(31)20-13-7-4-8-14-20/h3-16,24H,17H2,1-2H3,(H,28,32)(H,29,31)/t24-/m1/s1
InChIKeyINZROERUEBZHNI-XMMPIXPASA-N
MW455.51 g/mol
LogP4.91
Rot. Bonds8

About N-[2-[4-[[[(2R)-2-methoxy-2-phenylacetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide

N-[2-[4-[[[(2R)-2-methoxy-2-phenylacetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide (PubChem CID 42433589) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-[2-[4-[[[(2R)-2-methoxy-2-phenylacetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-[[[(2R)-2-methoxy-2-phenylacetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide
PubChem CID42433589
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC NameN-[2-[4-[[[(2R)-2-methoxy-2-phenylacetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide
SMILESCO[C@@H](C(=O)NCc1nc(-c2ccccc2NC(=O)c2ccccc2)oc1C)c1ccccc1
InChIInChI=1S/C27H25N3O4/c1-18-23(17-28-26(32)24(33-2)19-11-5-3-6-12-19)30-27(34-18)21-15-9-10-16-22(21)29-25(31)20-13-7-4-8-14-20/h3-16,24H,17H2,1-2H3,(H,28,32)(H,29,31)/t24-/m1/s1
InChIKeyINZROERUEBZHNI-XMMPIXPASA-N
XLogP4.91
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[[(2-cyclopentyl-2-phenylacetyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-3-carboxamide
CID 118755607
N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-phenylpropanamide
CID 45207389
(3R)-N-[[2-(2-benzamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 42371375
methyl 4-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methylamino]-4-oxobutanoate
CID 42455839
N-[2-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-phenoxypropanamide
CID 118758671
N-[[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrazol-1-ylbenzamide
CID 42321965
(3R)-3-methyl-N-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]pentanamide
CID 42407808
N-[2-[5-methyl-4-[[(3-methylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide
CID 45165679
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide
CID 42407871
2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 77097676
(2R)-N-[2-[4-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide
CID 42162249
4-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 20955421

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[[(2R)-2-methoxy-2-phenylacetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide?
The IUPAC name of N-[2-[4-[[[(2R)-2-methoxy-2-phenylacetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide (CID 42433589) is N-[2-[4-[[[(2R)-2-methoxy-2-phenylacetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide.
What is the SMILES notation for N-[2-[4-[[[(2R)-2-methoxy-2-phenylacetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide?
The canonical SMILES for N-[2-[4-[[[(2R)-2-methoxy-2-phenylacetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide is CO[C@@H](C(=O)NCc1nc(-c2ccccc2NC(=O)c2ccccc2)oc1C)c1ccccc1.
What is the InChIKey of N-[2-[4-[[[(2R)-2-methoxy-2-phenylacetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide?
The InChIKey is INZROERUEBZHNI-XMMPIXPASA-N. The full InChI is InChI=1S/C27H25N3O4/c1-18-23(17-28-26(32)24(33-2)19-11-5-3-6-12-19)30-27(34-18)21-15-9-10-16-22(21)29-25(31)20-13-7-4-8-14-20/h3-16,24H,17H2,1-2H3,(H,28,32)(H,29,31)/t24-/m1/s1.
What are the key properties of N-[2-[4-[[[(2R)-2-methoxy-2-phenylacetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide?
N-[2-[4-[[[(2R)-2-methoxy-2-phenylacetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide has a molecular weight of 455.51 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[[(2R)-2-methoxy-2-phenylacetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 42433589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).