N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide

C19H22N4O2 — CID 34078100

IUPACN-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)on1
InChIInChI=1S/C19H22N4O2/c1-13-11-16(25-22-13)18(24)21-17-9-10-20-23(17)12-14-5-7-15(8-6-14)19(2,3)4/h5-11H,12H2,1-4H3,(H,21,24)
InChIKeyOMSFFJWFRLRUND-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.78
Rot. Bonds4

About N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide

N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 34078100) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID34078100
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)on1
InChIInChI=1S/C19H22N4O2/c1-13-11-16(25-22-13)18(24)21-17-9-10-20-23(17)12-14-5-7-15(8-6-14)19(2,3)4/h5-11H,12H2,1-4H3,(H,21,24)
InChIKeyOMSFFJWFRLRUND-UHFFFAOYSA-N
XLogP3.78
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-6-methylpyridine-3-carboxamide
CID 31124402
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide
CID 34078119
5-bromo-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide
CID 55772310
2-bromo-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]benzamide
CID 27832017
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 34074376
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024755
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-pyrazol-1-ylpropanamide
CID 134048943
methyl 2-[3-[[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]carbamoyl]phenoxy]acetate
CID 55875529
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911455
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 112799099
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(2-fluorophenoxy)acetamide
CID 27832039
N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 112797938

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide (CID 34078100) is N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)on1.
What is the InChIKey of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is OMSFFJWFRLRUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-11-16(25-22-13)18(24)21-17-9-10-20-23(17)12-14-5-7-15(8-6-14)19(2,3)4/h5-11H,12H2,1-4H3,(H,21,24).
What are the key properties of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 34078100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).