N-[(4R)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C20H22N4O3 — CID 51494543

IUPACN-[(4R)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCOc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2oc(C)nc2C)cc1
InChIInChI=1S/C20H22N4O3/c1-12-19(27-13(2)22-12)20(25)23-17-5-4-6-18-16(17)11-21-24(18)14-7-9-15(26-3)10-8-14/h7-11,17H,4-6H2,1-3H3,(H,23,25)/t17-/m1/s1
InChIKeyDRMFORODKYOGRS-QGZVFWFLSA-N
MW366.42 g/mol
LogP3.29
Rot. Bonds4

About N-[(4R)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[(4R)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 51494543) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(4R)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID51494543
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[(4R)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCOc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2oc(C)nc2C)cc1
InChIInChI=1S/C20H22N4O3/c1-12-19(27-13(2)22-12)20(25)23-17-5-4-6-18-16(17)11-21-24(18)14-7-9-15(26-3)10-8-14/h7-11,17H,4-6H2,1-3H3,(H,23,25)/t17-/m1/s1
InChIKeyDRMFORODKYOGRS-QGZVFWFLSA-N
XLogP3.29
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4R)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide
CID 51494498
N-[(4R)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide
CID 92598354
N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 51494518
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 51494508
(3R)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 51494514
N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 46962538
1-(4-methoxyphenyl)-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356554
methyl 4-[[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]carbamoyl]benzoate
CID 24793406
2-(2,5-dimethoxyphenyl)-N-[(4R)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 42193500
1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 44819704
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,5-dimethylfuran-2-carboxamide
CID 24791124
N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 26321264

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(4R)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 51494543) is N-[(4R)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(4R)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(4R)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is COc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2oc(C)nc2C)cc1.
What is the InChIKey of N-[(4R)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is DRMFORODKYOGRS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-12-19(27-13(2)22-12)20(25)23-17-5-4-6-18-16(17)11-21-24(18)14-7-9-15(26-3)10-8-14/h7-11,17H,4-6H2,1-3H3,(H,23,25)/t17-/m1/s1.
What are the key properties of N-[(4R)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[(4R)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 51494543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).