3-methyl-5-propan-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-oxazole-4-carboxamide

C16H16F3N3O3 — CID 110622826

IUPAC3-methyl-5-propan-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)Nc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N3O3/c1-8(2)13-12(9(3)22-25-13)14(23)20-10-4-6-11(7-5-10)21-15(24)16(17,18)19/h4-8H,1-3H3,(H,20,23)(H,21,24)
InChIKeyHDHKLVXMQXBSQK-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.86
Rot. Bonds4

About 3-methyl-5-propan-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-oxazole-4-carboxamide

3-methyl-5-propan-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 110622826) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-oxazole-4-carboxamide
PubChem CID110622826
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC Name3-methyl-5-propan-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)Nc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N3O3/c1-8(2)13-12(9(3)22-25-13)14(23)20-10-4-6-11(7-5-10)21-15(24)16(17,18)19/h4-8H,1-3H3,(H,20,23)(H,21,24)
InChIKeyHDHKLVXMQXBSQK-UHFFFAOYSA-N
XLogP3.86
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 30780069
2-methyl-3-[4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid
CID 120541105
N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9068444
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 102603899
3-methyl-5-propan-2-yl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 110621004
3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 8534241
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
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N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9270594
3-methyl-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide
CID 26700940
N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 168786225
3-methyl-N-(6-phenoxy-3-pyridinyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-5-propan-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-oxazole-4-carboxamide (CID 110622826) is 3-methyl-5-propan-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-propan-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-propan-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)Nc1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of 3-methyl-5-propan-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is HDHKLVXMQXBSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-8(2)13-12(9(3)22-25-13)14(23)20-10-4-6-11(7-5-10)21-15(24)16(17,18)19/h4-8H,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 3-methyl-5-propan-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-oxazole-4-carboxamide?
3-methyl-5-propan-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 355.32 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110622826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).