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

C26H30N4O4 — CID 156906511

IUPACN-(4-tert-butylphenyl)-N-[2-(oxan-4-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)NC2CCOCC2)c2cccnc2)cc1
InChIInChI=1S/C26H30N4O4/c1-26(2,3)19-6-8-21(9-7-19)30(25(32)22-16-34-17-28-22)23(18-5-4-12-27-15-18)24(31)29-20-10-13-33-14-11-20/h4-9,12,15-17,20,23H,10-11,13-14H2,1-3H3,(H,29,31)
InChIKeyICMQPSAZFLYNCL-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.05
Rot. Bonds6

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

N-(4-tert-butylphenyl)-N-[2-(oxan-4-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (PubChem CID 156906511) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[2-(oxan-4-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[2-(oxan-4-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
PubChem CID156906511
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN-(4-tert-butylphenyl)-N-[2-(oxan-4-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)NC2CCOCC2)c2cccnc2)cc1
InChIInChI=1S/C26H30N4O4/c1-26(2,3)19-6-8-21(9-7-19)30(25(32)22-16-34-17-28-22)23(18-5-4-12-27-15-18)24(31)29-20-10-13-33-14-11-20/h4-9,12,15-17,20,23H,10-11,13-14H2,1-3H3,(H,29,31)
InChIKeyICMQPSAZFLYNCL-UHFFFAOYSA-N
XLogP4.05
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[2-(oxan-4-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-N-[2-(oxan-4-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (CID 156906511) is N-(4-tert-butylphenyl)-N-[2-(oxan-4-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[2-(oxan-4-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[2-(oxan-4-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is CC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)NC2CCOCC2)c2cccnc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[2-(oxan-4-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is ICMQPSAZFLYNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-26(2,3)19-6-8-21(9-7-19)30(25(32)22-16-34-17-28-22)23(18-5-4-12-27-15-18)24(31)29-20-10-13-33-14-11-20/h4-9,12,15-17,20,23H,10-11,13-14H2,1-3H3,(H,29,31).
What are the key properties of N-(4-tert-butylphenyl)-N-[2-(oxan-4-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
N-(4-tert-butylphenyl)-N-[2-(oxan-4-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-[2-(oxan-4-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).