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

C18H20N4O3 — CID 124757282

IUPAC(5R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCOc1ccc2oc(CNC(=O)c3n[nH]c4c3C[C@H](C)CC4)nc2c1
InChIInChI=1S/C18H20N4O3/c1-10-3-5-13-12(7-10)17(22-21-13)18(23)19-9-16-20-14-8-11(24-2)4-6-15(14)25-16/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,19,23)(H,21,22)/t10-/m1/s1
InChIKeyWAQOBLPKIHTMQS-SNVBAGLBSA-N
MW340.38 g/mol
LogP2.61
Rot. Bonds4

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

(5R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 124757282) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is (5R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID124757282
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name(5R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCOc1ccc2oc(CNC(=O)c3n[nH]c4c3C[C@H](C)CC4)nc2c1
InChIInChI=1S/C18H20N4O3/c1-10-3-5-13-12(7-10)17(22-21-13)18(23)19-9-16-20-14-8-11(24-2)4-6-15(14)25-16/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,19,23)(H,21,22)/t10-/m1/s1
InChIKeyWAQOBLPKIHTMQS-SNVBAGLBSA-N
XLogP2.61
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 91841825
3-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea
CID 122558422
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124843358
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91835467
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 70753555
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide
CID 91794515
(3R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 125162951
(2S)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 125438312
N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide
CID 110711644
(5S)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 125178880
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 125445358
(3S)-3-(1H-imidazol-2-yl)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]piperidine-1-carboxamide
CID 125439102

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of (5R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 124757282) is (5R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for (5R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for (5R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is COc1ccc2oc(CNC(=O)c3n[nH]c4c3C[C@H](C)CC4)nc2c1.
What is the InChIKey of (5R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is WAQOBLPKIHTMQS-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-10-3-5-13-12(7-10)17(22-21-13)18(23)19-9-16-20-14-8-11(24-2)4-6-15(14)25-16/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,19,23)(H,21,22)/t10-/m1/s1.
What are the key properties of (5R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
(5R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 124757282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).