N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-benzoxazole-3-carboxamide

C21H24N4O3 — CID 11740508

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-benzoxazole-3-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2noc3ccccc23)CC1
InChIInChI=1S/C21H24N4O3/c1-27-19-9-5-3-7-17(19)25-14-12-24(13-15-25)11-10-22-21(26)20-16-6-2-4-8-18(16)28-23-20/h2-9H,10-15H2,1H3,(H,22,26)
InChIKeyZPEOMOBNWFUZJX-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.39
Rot. Bonds6

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-benzoxazole-3-carboxamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-benzoxazole-3-carboxamide (PubChem CID 11740508) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-benzoxazole-3-carboxamide
PubChem CID11740508
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-benzoxazole-3-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2noc3ccccc23)CC1
InChIInChI=1S/C21H24N4O3/c1-27-19-9-5-3-7-17(19)25-14-12-24(13-15-25)11-10-22-21(26)20-16-6-2-4-8-18(16)28-23-20/h2-9H,10-15H2,1H3,(H,22,26)
InChIKeyZPEOMOBNWFUZJX-UHFFFAOYSA-N
XLogP2.39
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
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[2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
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(2S)-N-[(3S)-5-(1,2-benzoxazol-3-ylmethyl)-4-oxospiro[3H-1,5-benzoxazepine-2,4'-oxane]-3-yl]-2-(methylamino)propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-benzoxazole-3-carboxamide (CID 11740508) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-benzoxazole-3-carboxamide is COc1ccccc1N1CCN(CCNC(=O)c2noc3ccccc23)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-benzoxazole-3-carboxamide?
The InChIKey is ZPEOMOBNWFUZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-27-19-9-5-3-7-17(19)25-14-12-24(13-15-25)11-10-22-21(26)20-16-6-2-4-8-18(16)28-23-20/h2-9H,10-15H2,1H3,(H,22,26).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-benzoxazole-3-carboxamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-benzoxazole-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 11740508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).