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

C19H19N5O3S — CID 19493807

IUPACN-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NOC(C(=O)Nc2nc(-c3cnn(C)c3C)cs2)C1
InChIInChI=1S/C19H19N5O3S/c1-11-13(9-20-24(11)2)15-10-28-19(21-15)22-18(25)17-8-14(23-27-17)12-6-4-5-7-16(12)26-3/h4-7,9-10,17H,8H2,1-3H3,(H,21,22,25)
InChIKeyFJDHOKLLOJGMAG-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.99
Rot. Bonds5

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

N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19493807) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19493807
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC NameN-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NOC(C(=O)Nc2nc(-c3cnn(C)c3C)cs2)C1
InChIInChI=1S/C19H19N5O3S/c1-11-13(9-20-24(11)2)15-10-28-19(21-15)22-18(25)17-8-14(23-27-17)12-6-4-5-7-16(12)26-3/h4-7,9-10,17H,8H2,1-3H3,(H,21,22,25)
InChIKeyFJDHOKLLOJGMAG-UHFFFAOYSA-N
XLogP2.99
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493638
3-(3-bromophenyl)-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495749
3-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493686
3-(2-methoxyphenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493623
N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-8-methoxy-2-methylquinoline-3-carboxamide
CID 46978766
3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493674
(5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638470
(5R)-3-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 28815180
N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493687
(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 6966211
(5S)-3-(2-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29092726
3-(2-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493757

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19493807) is N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccccc1C1=NOC(C(=O)Nc2nc(-c3cnn(C)c3C)cs2)C1.
What is the InChIKey of N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is FJDHOKLLOJGMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-11-13(9-20-24(11)2)15-10-28-19(21-15)22-18(25)17-8-14(23-27-17)12-6-4-5-7-16(12)26-3/h4-7,9-10,17H,8H2,1-3H3,(H,21,22,25).
What are the key properties of N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19493807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).