N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H20N4O3 — CID 19491440

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)NCc3cnn(C)c3C)C2)cc1
InChIInChI=1S/C17H20N4O3/c1-11-13(10-19-21(11)2)9-18-17(22)16-8-15(20-24-16)12-4-6-14(23-3)7-5-12/h4-7,10,16H,8-9H2,1-3H3,(H,18,22)
InChIKeyMQGCXLXWZJBFLX-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.55
Rot. Bonds5

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19491440) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19491440
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)NCc3cnn(C)c3C)C2)cc1
InChIInChI=1S/C17H20N4O3/c1-11-13(10-19-21(11)2)9-18-17(22)16-8-15(20-24-16)12-4-6-14(23-3)7-5-12/h4-7,10,16H,8-9H2,1-3H3,(H,18,22)
InChIKeyMQGCXLXWZJBFLX-UHFFFAOYSA-N
XLogP1.55
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465509
(5S)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503587
3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095928
3-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3244224
(5R)-3-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 92666636
(5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503549
(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 1096397
(5R)-3-(4-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503556
(5S)-3-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503557
3-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491575
3-(4-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 171133393
3-(4-methoxyphenyl)-N-(3-thiophen-2-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 171133442

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19491440) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(C2=NOC(C(=O)NCc3cnn(C)c3C)C2)cc1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is MQGCXLXWZJBFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-13(10-19-21(11)2)9-18-17(22)16-8-15(20-24-16)12-4-6-14(23-3)7-5-12/h4-7,10,16H,8-9H2,1-3H3,(H,18,22).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19491440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).