4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide

C20H21N5O3 — CID 46883461

IUPAC4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(C(=O)Nc3ccncc3)cc2)no1
InChIInChI=1S/C20H21N5O3/c1-20(2,3)16-12-17(25-28-16)24-19(27)23-14-6-4-13(5-7-14)18(26)22-15-8-10-21-11-9-15/h4-12H,1-3H3,(H,21,22,26)(H2,23,24,25,27)
InChIKeyRXQKYRGFBQTLGW-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.26
Rot. Bonds4

About 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide

4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide (PubChem CID 46883461) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide
PubChem CID46883461
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(C(=O)Nc3ccncc3)cc2)no1
InChIInChI=1S/C20H21N5O3/c1-20(2,3)16-12-17(25-28-16)24-19(27)23-14-6-4-13(5-7-14)18(26)22-15-8-10-21-11-9-15/h4-12H,1-3H3,(H,21,22,26)(H2,23,24,25,27)
InChIKeyRXQKYRGFBQTLGW-UHFFFAOYSA-N
XLogP4.26
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide
CID 46883422
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-ethylbenzamide
CID 11441130
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 59380957
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-dichlorobenzamide
CID 59381180
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-difluorobenzamide
CID 59381141
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-hydroxyphenyl)phenyl]urea
CID 150862884
4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide
CID 59420454
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-methylsulfinylphenyl)urea
CID 59380965
tert-butyl N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamate
CID 59380976
3-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 108812205
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3-pyridin-4-ylsulfanylphenyl)urea
CID 25019765

Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide (CID 46883461) is 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide is CC(C)(C)c1cc(NC(=O)Nc2ccc(C(=O)Nc3ccncc3)cc2)no1.
What is the InChIKey of 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide?
The InChIKey is RXQKYRGFBQTLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-20(2,3)16-12-17(25-28-16)24-19(27)23-14-6-4-13(5-7-14)18(26)22-15-8-10-21-11-9-15/h4-12H,1-3H3,(H,21,22,26)(H2,23,24,25,27).
What are the key properties of 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide?
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide has a molecular weight of 379.42 g/mol, XLogP of 4.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 46883461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).