(5R)-3-(4-chlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C21H19ClN4O2 — CID 1249101

IUPAC(5R)-3-(4-chlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccccc1Cn1cc(NC(=O)[C@H]2CC(c3ccc(Cl)cc3)=NO2)cn1
InChIInChI=1S/C21H19ClN4O2/c1-14-4-2-3-5-16(14)12-26-13-18(11-23-26)24-21(27)20-10-19(25-28-20)15-6-8-17(22)9-7-15/h2-9,11,13,20H,10,12H2,1H3,(H,24,27)/t20-/m1/s1
InChIKeyBAFGNIUTPXSYCR-HXUWFJFHSA-N
MW394.86 g/mol
LogP4.02
Rot. Bonds5

About (5R)-3-(4-chlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-3-(4-chlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 1249101) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is (5R)-3-(4-chlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(4-chlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID1249101
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name(5R)-3-(4-chlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccccc1Cn1cc(NC(=O)[C@H]2CC(c3ccc(Cl)cc3)=NO2)cn1
InChIInChI=1S/C21H19ClN4O2/c1-14-4-2-3-5-16(14)12-26-13-18(11-23-26)24-21(27)20-10-19(25-28-20)15-6-8-17(22)9-7-15/h2-9,11,13,20H,10,12H2,1H3,(H,24,27)/t20-/m1/s1
InChIKeyBAFGNIUTPXSYCR-HXUWFJFHSA-N
XLogP4.02
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 35277538
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491606
(5R)-3-(3,4-dichlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1302191
N-(1-benzylpyrazol-4-yl)-3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 166358020
3-(2-chloro-6-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19489476
3-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495805
(5R)-3-(2,5-difluorophenyl)-N-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95623071
3-(2-acetamidophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 117074579
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19346309
3-(4-methoxyphenyl)-N-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491627
1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280974
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 19397814

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-chlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-(4-chlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 1249101) is (5R)-3-(4-chlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-(4-chlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-(4-chlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1ccccc1Cn1cc(NC(=O)[C@H]2CC(c3ccc(Cl)cc3)=NO2)cn1.
What is the InChIKey of (5R)-3-(4-chlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is BAFGNIUTPXSYCR-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-14-4-2-3-5-16(14)12-26-13-18(11-23-26)24-21(27)20-10-19(25-28-20)15-6-8-17(22)9-7-15/h2-9,11,13,20H,10,12H2,1H3,(H,24,27)/t20-/m1/s1.
What are the key properties of (5R)-3-(4-chlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-3-(4-chlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-chlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 1249101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).