2-(1,2-benzoxazol-3-yl)-N-(2-propoxyphenyl)acetamide

C18H18N2O3 — CID 51217571

IUPAC2-(1,2-benzoxazol-3-yl)-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)Cc1noc2ccccc12
InChIInChI=1S/C18H18N2O3/c1-2-11-22-17-10-6-4-8-14(17)19-18(21)12-15-13-7-3-5-9-16(13)23-20-15/h3-10H,2,11-12H2,1H3,(H,19,21)
InChIKeyTVYCLMBWNCFTNQ-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.80
Rot. Bonds6

About 2-(1,2-benzoxazol-3-yl)-N-(2-propoxyphenyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(2-propoxyphenyl)acetamide (PubChem CID 51217571) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(2-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(2-propoxyphenyl)acetamide
PubChem CID51217571
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)Cc1noc2ccccc12
InChIInChI=1S/C18H18N2O3/c1-2-11-22-17-10-6-4-8-14(17)19-18(21)12-15-13-7-3-5-9-16(13)23-20-15/h3-10H,2,11-12H2,1H3,(H,19,21)
InChIKeyTVYCLMBWNCFTNQ-UHFFFAOYSA-N
XLogP3.80
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(2-methoxyphenyl)acetamide
CID 1235350
2-(1,2-benzoxazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 26157703
2-(1,2-benzoxazol-3-yl)-N-(2-butoxy-5-methoxyphenyl)acetamide
CID 46441550
2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide
CID 87006319
2-(1,2-benzoxazol-3-yl)-N-(2,5-diethoxyphenyl)acetamide
CID 35540282
[2-(2-methoxyanilino)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8982841
2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide
CID 1235388
2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 46480330
2-(1,2-benzoxazol-3-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 9210932
2-(1,2-benzoxazol-3-yl)-N-(4,5-diethoxy-2-nitrophenyl)acetamide
CID 86913005
2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 9162813
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 9255690

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2-propoxyphenyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2-propoxyphenyl)acetamide (CID 51217571) is 2-(1,2-benzoxazol-3-yl)-N-(2-propoxyphenyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(2-propoxyphenyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(2-propoxyphenyl)acetamide is CCCOc1ccccc1NC(=O)Cc1noc2ccccc12.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(2-propoxyphenyl)acetamide?
The InChIKey is TVYCLMBWNCFTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-11-22-17-10-6-4-8-14(17)19-18(21)12-15-13-7-3-5-9-16(13)23-20-15/h3-10H,2,11-12H2,1H3,(H,19,21).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(2-propoxyphenyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(2-propoxyphenyl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 3.80, 6 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-(2-propoxyphenyl)acetamide is sourced from PubChem (CID 51217571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).