N-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide

C20H22N2O2 — CID 130348152

IUPACN-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide
SMILESCC(C)(C)c1ccc(-c2cc(CNC(=O)C3=CC=CC3)on2)cc1
InChIInChI=1S/C20H22N2O2/c1-20(2,3)16-10-8-14(9-11-16)18-12-17(24-22-18)13-21-19(23)15-6-4-5-7-15/h4-6,8-12H,7,13H2,1-3H3,(H,21,23)
InChIKeyGBTIUFPSEASZGF-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.14
Rot. Bonds4

About N-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide

N-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide (PubChem CID 130348152) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide
PubChem CID130348152
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide
SMILESCC(C)(C)c1ccc(-c2cc(CNC(=O)C3=CC=CC3)on2)cc1
InChIInChI=1S/C20H22N2O2/c1-20(2,3)16-10-8-14(9-11-16)18-12-17(24-22-18)13-21-19(23)15-6-4-5-7-15/h4-6,8-12H,7,13H2,1-3H3,(H,21,23)
InChIKeyGBTIUFPSEASZGF-UHFFFAOYSA-N
XLogP4.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide
CID 130347905
(3-phenyl-1,2-oxazol-5-yl)methyl cyclopenta-1,3-diene-1-carboxylate
CID 130348153
CID 74539384
CID 74539384
N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide
CID 130347878
N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide
CID 71895813
1-tert-butyl-5-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide
CID 47056333
N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 166264253
3-(4-tert-butylphenyl)-1,2-oxazole-5-carbonyl chloride
CID 82371280
3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one
CID 157192717
2-(diethylamino)-N-[[3-(4-iodophenyl)-1,2-oxazol-5-yl]methyl]acetamide
CID 51039200
4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866729
N-[[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl]-4-(2-cyclopentylethynyl)-3-methylbenzamide
CID 166024524

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide (CID 130348152) is N-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide is CC(C)(C)c1ccc(-c2cc(CNC(=O)C3=CC=CC3)on2)cc1.
What is the InChIKey of N-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is GBTIUFPSEASZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-20(2,3)16-10-8-14(9-11-16)18-12-17(24-22-18)13-21-19(23)15-6-4-5-7-15/h4-6,8-12H,7,13H2,1-3H3,(H,21,23).
What are the key properties of N-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide?
N-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 130348152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).