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

C19H27N3O2 — CID 102603899

IUPACN-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCCN(c1ccc(NC(=O)c2c(C)noc2C(C)C)cc1)C(C)C
InChIInChI=1S/C19H27N3O2/c1-7-22(13(4)5)16-10-8-15(9-11-16)20-19(23)17-14(6)21-24-18(17)12(2)3/h8-13H,7H2,1-6H3,(H,20,23)
InChIKeyDRCXIWIGCNFYFB-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.59
Rot. Bonds6

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

N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 102603899) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID102603899
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCCN(c1ccc(NC(=O)c2c(C)noc2C(C)C)cc1)C(C)C
InChIInChI=1S/C19H27N3O2/c1-7-22(13(4)5)16-10-8-15(9-11-16)20-19(23)17-14(6)21-24-18(17)12(2)3/h8-13H,7H2,1-6H3,(H,20,23)
InChIKeyDRCXIWIGCNFYFB-UHFFFAOYSA-N
XLogP4.59
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 30790659
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 30780069
N'-[4-(diethylamino)benzoyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carbohydrazide
CID 9271390
3-methyl-5-propan-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 110622826
2-methyl-3-[4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid
CID 120541105
3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 8534241
N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9068444
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-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 26700942
3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 26700945
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9270594
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
CID 60641040

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 102603899) is N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is CCN(c1ccc(NC(=O)c2c(C)noc2C(C)C)cc1)C(C)C.
What is the InChIKey of N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is DRCXIWIGCNFYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-7-22(13(4)5)16-10-8-15(9-11-16)20-19(23)17-14(6)21-24-18(17)12(2)3/h8-13H,7H2,1-6H3,(H,20,23).
What are the key properties of N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 102603899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).