2-(1,2-benzoxazol-3-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide

C17H16N2O3 — CID 99608651

IUPAC2-(1,2-benzoxazol-3-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide
SMILESO=C(Cc1noc2ccccc12)N[C@H]1CCCc2occc21
InChIInChI=1S/C17H16N2O3/c20-17(10-14-11-4-1-2-6-16(11)22-19-14)18-13-5-3-7-15-12(13)8-9-21-15/h1-2,4,6,8-9,13H,3,5,7,10H2,(H,18,20)/t13-/m0/s1
InChIKeyUZEXUWRSZZPXHA-ZDUSSCGKSA-N
MW296.33 g/mol
LogP3.16
Rot. Bonds3

About 2-(1,2-benzoxazol-3-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide (PubChem CID 99608651) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide
PubChem CID99608651
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide
SMILESO=C(Cc1noc2ccccc12)N[C@H]1CCCc2occc21
InChIInChI=1S/C17H16N2O3/c20-17(10-14-11-4-1-2-6-16(11)22-19-14)18-13-5-3-7-15-12(13)8-9-21-15/h1-2,4,6,8-9,13H,3,5,7,10H2,(H,18,20)/t13-/m0/s1
InChIKeyUZEXUWRSZZPXHA-ZDUSSCGKSA-N
XLogP3.16
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 126778051
2-(1,2-benzoxazol-3-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 51092558
2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
CID 71935457
2-[1-(aminomethyl)cyclobutyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 81172884
1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 941313
2-[benzenesulfonyl(methyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 71942327
2-(1,2-benzoxazol-3-yl)-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide
CID 126779890
2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 79287688
4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 66221426
6-[[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 100650137
1-[2-oxo-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 60940744
3-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 86930369

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide (CID 99608651) is 2-(1,2-benzoxazol-3-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide is O=C(Cc1noc2ccccc12)N[C@H]1CCCc2occc21.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide?
The InChIKey is UZEXUWRSZZPXHA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-17(10-14-11-4-1-2-6-16(11)22-19-14)18-13-5-3-7-15-12(13)8-9-21-15/h1-2,4,6,8-9,13H,3,5,7,10H2,(H,18,20)/t13-/m0/s1.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide has a molecular weight of 296.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide is sourced from PubChem (CID 99608651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).