2-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-1,3-benzoxazol-5-amine

C17H18N2OS — CID 62345894

IUPAC2-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-1,3-benzoxazol-5-amine
SMILESCCc1ccc(CNc2ccc3oc(C4CC4)nc3c2)s1
InChIInChI=1S/C17H18N2OS/c1-2-13-6-7-14(21-13)10-18-12-5-8-16-15(9-12)19-17(20-16)11-3-4-11/h5-9,11,18H,2-4,10H2,1H3
InChIKeyUGSYJFJSAGZHMT-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.94
Rot. Bonds5

About 2-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-1,3-benzoxazol-5-amine

2-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-1,3-benzoxazol-5-amine (PubChem CID 62345894) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-1,3-benzoxazol-5-amine
PubChem CID62345894
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name2-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-1,3-benzoxazol-5-amine
SMILESCCc1ccc(CNc2ccc3oc(C4CC4)nc3c2)s1
InChIInChI=1S/C17H18N2OS/c1-2-13-6-7-14(21-13)10-18-12-5-8-16-15(9-12)19-17(20-16)11-3-4-11/h5-9,11,18H,2-4,10H2,1H3
InChIKeyUGSYJFJSAGZHMT-UHFFFAOYSA-N
XLogP4.94
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]thiophene-2-carbonitrile
CID 115743173
2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 63657219
2-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3-benzoxazol-5-amine
CID 104749624
N-[(2-chlorophenyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 43686403
2-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 43686438
2-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol
CID 81412586
2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine
CID 79701065
2-cyclopropyl-N-(oxolan-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 82834532
N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 43686416
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-benzoxazol-5-amine
CID 28676136
2-cyclopropyl-N-(oxan-4-yl)-1,3-benzoxazol-5-amine
CID 43686399
tert-butyl N-[3-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]propyl]carbamate
CID 113269152

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-1,3-benzoxazol-5-amine (CID 62345894) is 2-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-1,3-benzoxazol-5-amine is CCc1ccc(CNc2ccc3oc(C4CC4)nc3c2)s1.
What is the InChIKey of 2-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-1,3-benzoxazol-5-amine?
The InChIKey is UGSYJFJSAGZHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-2-13-6-7-14(21-13)10-18-12-5-8-16-15(9-12)19-17(20-16)11-3-4-11/h5-9,11,18H,2-4,10H2,1H3.
What are the key properties of 2-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-1,3-benzoxazol-5-amine?
2-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-1,3-benzoxazol-5-amine has a molecular weight of 298.41 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 62345894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).