2-(1,2-benzoxazol-3-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)acetamide

C18H20N4O2 — CID 77088501

IUPAC2-(1,2-benzoxazol-3-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)acetamide
SMILESO=C(Cc1noc2ccccc12)NCc1n[nH]c2c1CCCCC2
InChIInChI=1S/C18H20N4O2/c23-18(10-15-13-7-4-5-9-17(13)24-22-15)19-11-16-12-6-2-1-3-8-14(12)20-21-16/h4-5,7,9H,1-3,6,8,10-11H2,(H,19,23)(H,20,21)
InChIKeyJWSUDYKONPXHRE-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.68
Rot. Bonds4

About 2-(1,2-benzoxazol-3-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)acetamide (PubChem CID 77088501) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)acetamide
PubChem CID77088501
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)acetamide
SMILESO=C(Cc1noc2ccccc12)NCc1n[nH]c2c1CCCCC2
InChIInChI=1S/C18H20N4O2/c23-18(10-15-13-7-4-5-9-17(13)24-22-15)19-11-16-12-6-2-1-3-8-14(12)20-21-16/h4-5,7,9H,1-3,6,8,10-11H2,(H,19,23)(H,20,21)
InChIKeyJWSUDYKONPXHRE-UHFFFAOYSA-N
XLogP2.68
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-2-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)acetamide
CID 131916576
N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide
CID 138806777
[4-(1,2-benzoxazol-3-ylmethyl)-1,4-diazepan-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 46379720
2-(1,2-benzoxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 22519759
2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
CID 71935457
2-(1,2-benzoxazol-3-yl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 46461744
2-(1,2-benzoxazol-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 52572922
2-(1,2-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46612175
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
1-[[[2-(1,2-benzoxazol-3-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449783
2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103730689
2-(1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 22519680

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)acetamide (CID 77088501) is 2-(1,2-benzoxazol-3-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)acetamide is O=C(Cc1noc2ccccc12)NCc1n[nH]c2c1CCCCC2.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)acetamide?
The InChIKey is JWSUDYKONPXHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-18(10-15-13-7-4-5-9-17(13)24-22-15)19-11-16-12-6-2-1-3-8-14(12)20-21-16/h4-5,7,9H,1-3,6,8,10-11H2,(H,19,23)(H,20,21).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)acetamide is sourced from PubChem (CID 77088501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).