N-(4-tert-butylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide

C27H33N5O4 — CID 156906540

IUPACN-(4-tert-butylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)NCCN2CCOCC2)c2cccnc2)cc1
InChIInChI=1S/C27H33N5O4/c1-27(2,3)21-6-8-22(9-7-21)32(26(34)23-18-36-19-30-23)24(20-5-4-10-28-17-20)25(33)29-11-12-31-13-15-35-16-14-31/h4-10,17-19,24H,11-16H2,1-3H3,(H,29,33)
InChIKeyRERDNFCIYRPOFQ-UHFFFAOYSA-N
MW491.59 g/mol
LogP3.20
Rot. Bonds8

About N-(4-tert-butylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide

N-(4-tert-butylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (PubChem CID 156906540) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
PubChem CID156906540
Molecular FormulaC27H33N5O4
Molecular Weight491.59 g/mol
Exact Mass491.25
IUPAC NameN-(4-tert-butylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)NCCN2CCOCC2)c2cccnc2)cc1
InChIInChI=1S/C27H33N5O4/c1-27(2,3)21-6-8-22(9-7-21)32(26(34)23-18-36-19-30-23)24(20-5-4-10-28-17-20)25(33)29-11-12-31-13-15-35-16-14-31/h4-10,17-19,24H,11-16H2,1-3H3,(H,29,33)
InChIKeyRERDNFCIYRPOFQ-UHFFFAOYSA-N
XLogP3.20
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (CID 156906540) is N-(4-tert-butylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is CC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)NCCN2CCOCC2)c2cccnc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is RERDNFCIYRPOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4/c1-27(2,3)21-6-8-22(9-7-21)32(26(34)23-18-36-19-30-23)24(20-5-4-10-28-17-20)25(33)29-11-12-31-13-15-35-16-14-31/h4-10,17-19,24H,11-16H2,1-3H3,(H,29,33).
What are the key properties of N-(4-tert-butylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
N-(4-tert-butylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 491.59 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).