2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide

C15H18N2O3S — CID 114751340

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
SMILESO=C(CSc1nc2ccccc2o1)NCC1(CCO)CC1
InChIInChI=1S/C15H18N2O3S/c18-8-7-15(5-6-15)10-16-13(19)9-21-14-17-11-3-1-2-4-12(11)20-14/h1-4,18H,5-10H2,(H,16,19)
InChIKeyYUWDRPUOPDMPOG-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.20
Rot. Bonds7

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide (PubChem CID 114751340) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
PubChem CID114751340
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
SMILESO=C(CSc1nc2ccccc2o1)NCC1(CCO)CC1
InChIInChI=1S/C15H18N2O3S/c18-8-7-15(5-6-15)10-16-13(19)9-21-14-17-11-3-1-2-4-12(11)20-14/h1-4,18H,5-10H2,(H,16,19)
InChIKeyYUWDRPUOPDMPOG-UHFFFAOYSA-N
XLogP2.20
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide (CID 114751340) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide is O=C(CSc1nc2ccccc2o1)NCC1(CCO)CC1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
The InChIKey is YUWDRPUOPDMPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c18-8-7-15(5-6-15)10-16-13(19)9-21-14-17-11-3-1-2-4-12(11)20-14/h1-4,18H,5-10H2,(H,16,19).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide has a molecular weight of 306.39 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 114751340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).