(5R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C16H22N4O2 — CID 95203995

IUPAC(5R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)c1n[nH]c2c1C[C@H](C)CC2
InChIInChI=1S/C16H22N4O2/c1-9-5-6-14-12(7-9)15(18-17-14)16(21)20(4)8-13-10(2)19-22-11(13)3/h9H,5-8H2,1-4H3,(H,17,18)/t9-/m1/s1
InChIKeyFMKMRMQIPNXOHC-SECBINFHSA-N
MW302.38 g/mol
LogP2.41
Rot. Bonds3

About (5R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

(5R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 95203995) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (5R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID95203995
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(5R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)c1n[nH]c2c1C[C@H](C)CC2
InChIInChI=1S/C16H22N4O2/c1-9-5-6-14-12(7-9)15(18-17-14)16(21)20(4)8-13-10(2)19-22-11(13)3/h9H,5-8H2,1-4H3,(H,17,18)/t9-/m1/s1
InChIKeyFMKMRMQIPNXOHC-SECBINFHSA-N
XLogP2.41
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-dimethyl-N-(quinoxalin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 77090443
N,5-dimethyl-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 46961739
N,5-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 70760252
4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076063
3,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 103907755
N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 167876917
[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-piperidin-1-ylmethanone
CID 95990066
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethylsulfonyl-N-methylacetamide
CID 86827719
trans-(1R,2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93379121
2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 75461539
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylazetidin-3-amine
CID 66186598
N-[(4-chlorophenyl)-pyrimidin-2-ylmethyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 166253174

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of (5R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 95203995) is (5R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for (5R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for (5R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is Cc1noc(C)c1CN(C)C(=O)c1n[nH]c2c1C[C@H](C)CC2.
What is the InChIKey of (5R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is FMKMRMQIPNXOHC-SECBINFHSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-9-5-6-14-12(7-9)15(18-17-14)16(21)20(4)8-13-10(2)19-22-11(13)3/h9H,5-8H2,1-4H3,(H,17,18)/t9-/m1/s1.
What are the key properties of (5R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
(5R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 95203995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).