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

C19H22N4O3 — CID 91841825

IUPACN-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESCOc1ccc2oc(CNC(=O)CCc3n[nH]c4c3CCCC4)nc2c1
InChIInChI=1S/C19H22N4O3/c1-25-12-6-8-17-16(10-12)21-19(26-17)11-20-18(24)9-7-15-13-4-2-3-5-14(13)22-23-15/h6,8,10H,2-5,7,9,11H2,1H3,(H,20,24)(H,22,23)
InChIKeyVNBCRJWPHAKFQL-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.69
Rot. Bonds6

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

N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (PubChem CID 91841825) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
PubChem CID91841825
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESCOc1ccc2oc(CNC(=O)CCc3n[nH]c4c3CCCC4)nc2c1
InChIInChI=1S/C19H22N4O3/c1-25-12-6-8-17-16(10-12)21-19(26-17)11-20-18(24)9-7-15-13-4-2-3-5-14(13)22-23-15/h6,8,10H,2-5,7,9,11H2,1H3,(H,20,24)(H,22,23)
InChIKeyVNBCRJWPHAKFQL-UHFFFAOYSA-N
XLogP2.69
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
(5R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 124757282
2-(1,3-benzoxazol-2-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)acetamide
CID 131916576
N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 122569470
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390584
3-(4-methoxyphenyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 50977161
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 136663690
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide
CID 91794515
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 72927177
3-(2,5-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 46964164

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The IUPAC name of N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (CID 91841825) is N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.
What is the SMILES notation for N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The canonical SMILES for N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is COc1ccc2oc(CNC(=O)CCc3n[nH]c4c3CCCC4)nc2c1.
What is the InChIKey of N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The InChIKey is VNBCRJWPHAKFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-25-12-6-8-17-16(10-12)21-19(26-17)11-20-18(24)9-7-15-13-4-2-3-5-14(13)22-23-15/h6,8,10H,2-5,7,9,11H2,1H3,(H,20,24)(H,22,23).
What are the key properties of N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide has a molecular weight of 354.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is sourced from PubChem (CID 91841825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).