5-tert-butyl-N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-1H-pyrazole-3-carboxamide

C20H26N4O3 — CID 95791961

IUPAC5-tert-butyl-N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-1H-pyrazole-3-carboxamide
SMILESCC(C)[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C20H26N4O3/c1-12(2)14(11-24-15-8-6-7-9-16(15)27-19(24)26)21-18(25)13-10-17(23-22-13)20(3,4)5/h6-10,12,14H,11H2,1-5H3,(H,21,25)(H,22,23)/t14-/m0/s1
InChIKeyHWDVTAMDXWKKGM-AWEZNQCLSA-N
MW370.45 g/mol
LogP3.07
Rot. Bonds5

About 5-tert-butyl-N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-1H-pyrazole-3-carboxamide

5-tert-butyl-N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-1H-pyrazole-3-carboxamide (PubChem CID 95791961) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 5-tert-butyl-N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-1H-pyrazole-3-carboxamide
PubChem CID95791961
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name5-tert-butyl-N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-1H-pyrazole-3-carboxamide
SMILESCC(C)[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C20H26N4O3/c1-12(2)14(11-24-15-8-6-7-9-16(15)27-19(24)26)21-18(25)13-10-17(23-22-13)20(3,4)5/h6-10,12,14H,11H2,1-5H3,(H,21,25)(H,22,23)/t14-/m0/s1
InChIKeyHWDVTAMDXWKKGM-AWEZNQCLSA-N
XLogP3.07
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]furan-2-carboxamide
CID 95791951
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CID 95791970
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 129417433
N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)propan-2-yl]pyrazine-2-carboxamide
CID 95856781
N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 60519288
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 48507067
2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]acetic acid
CID 110835219
N-(2-aminopropyl)-5-tert-butyl-1H-pyrazole-3-carboxamide
CID 110833128
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103855778
5-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 71981631
N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]cyclopropanecarboxamide
CID 95856797

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-1H-pyrazole-3-carboxamide (CID 95791961) is 5-tert-butyl-N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-1H-pyrazole-3-carboxamide is CC(C)[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 5-tert-butyl-N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is HWDVTAMDXWKKGM-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-12(2)14(11-24-15-8-6-7-9-16(15)27-19(24)26)21-18(25)13-10-17(23-22-13)20(3,4)5/h6-10,12,14H,11H2,1-5H3,(H,21,25)(H,22,23)/t14-/m0/s1.
What are the key properties of 5-tert-butyl-N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-1H-pyrazole-3-carboxamide?
5-tert-butyl-N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95791961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).