(5S)-3-(2-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C21H20N4O3 — CID 29092726

IUPAC(5S)-3-(2-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NO[C@H](C(=O)Nc2ccc(-n3ccc(C)n3)cc2)C1
InChIInChI=1S/C21H20N4O3/c1-14-11-12-25(23-14)16-9-7-15(8-10-16)22-21(26)20-13-18(24-28-20)17-5-3-4-6-19(17)27-2/h3-12,20H,13H2,1-2H3,(H,22,26)/t20-/m0/s1
InChIKeyKCEFFXOLRCXWDC-FQEVSTJZSA-N
MW376.42 g/mol
LogP3.32
Rot. Bonds5

About (5S)-3-(2-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-3-(2-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 29092726) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is (5S)-3-(2-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-(2-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID29092726
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name(5S)-3-(2-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NO[C@H](C(=O)Nc2ccc(-n3ccc(C)n3)cc2)C1
InChIInChI=1S/C21H20N4O3/c1-14-11-12-25(23-14)16-9-7-15(8-10-16)22-21(26)20-13-18(24-28-20)17-5-3-4-6-19(17)27-2/h3-12,20H,13H2,1-2H3,(H,22,26)/t20-/m0/s1
InChIKeyKCEFFXOLRCXWDC-FQEVSTJZSA-N
XLogP3.32
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyphenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493623
(5R)-3-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 28815180
N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493638
3-(2-methoxyphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493827
N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493687
N-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493636
3-(2-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493757
(5S)-N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638409
(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 6966211
(5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638470
(5R)-3-(2-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638520
N-[4-(3-methylpyrazol-1-yl)phenyl]oxolane-2-carboxamide
CID 45154182

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-(2-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 29092726) is (5S)-3-(2-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-(2-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-(2-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccccc1C1=NO[C@H](C(=O)Nc2ccc(-n3ccc(C)n3)cc2)C1.
What is the InChIKey of (5S)-3-(2-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is KCEFFXOLRCXWDC-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-14-11-12-25(23-14)16-9-7-15(8-10-16)22-21(26)20-13-18(24-28-20)17-5-3-4-6-19(17)27-2/h3-12,20H,13H2,1-2H3,(H,22,26)/t20-/m0/s1.
What are the key properties of (5S)-3-(2-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-3-(2-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 29092726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).