N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1,3-oxazole-5-carboxamide

C27H26N4O3 — CID 177375210

IUPACN-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1,3-oxazole-5-carboxamide
SMILESCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1cnco1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H26N4O3/c1-27(2,3)30-25(32)24(21-10-7-15-28-16-21)31(26(33)23-17-29-18-34-23)22-13-11-20(12-14-22)19-8-5-4-6-9-19/h4-18,24H,1-3H3,(H,30,32)/t24-/m1/s1
InChIKeyPVQMADYNRAANRQ-XMMPIXPASA-N
MW454.53 g/mol
LogP5.04
Rot. Bonds6

About N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1,3-oxazole-5-carboxamide

N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1,3-oxazole-5-carboxamide (PubChem CID 177375210) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1,3-oxazole-5-carboxamide
PubChem CID177375210
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC NameN-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1,3-oxazole-5-carboxamide
SMILESCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1cnco1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H26N4O3/c1-27(2,3)30-25(32)24(21-10-7-15-28-16-21)31(26(33)23-17-29-18-34-23)22-13-11-20(12-14-22)19-8-5-4-6-9-19/h4-18,24H,1-3H3,(H,30,32)/t24-/m1/s1
InChIKeyPVQMADYNRAANRQ-XMMPIXPASA-N
XLogP5.04
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1,3-oxazole-5-carboxamide (CID 177375210) is N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1,3-oxazole-5-carboxamide is CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1cnco1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1,3-oxazole-5-carboxamide?
The InChIKey is PVQMADYNRAANRQ-XMMPIXPASA-N. The full InChI is InChI=1S/C27H26N4O3/c1-27(2,3)30-25(32)24(21-10-7-15-28-16-21)31(26(33)23-17-29-18-34-23)22-13-11-20(12-14-22)19-8-5-4-6-9-19/h4-18,24H,1-3H3,(H,30,32)/t24-/m1/s1.
What are the key properties of N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1,3-oxazole-5-carboxamide?
N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1,3-oxazole-5-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 177375210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).