N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,3-benzoxazol-2-amine

C15H18N2O2 — CID 86794329

IUPACN-cyclopropyl-N-(oxolan-3-ylmethyl)-1,3-benzoxazol-2-amine
SMILESc1ccc2oc(N(CC3CCOC3)C3CC3)nc2c1
InChIInChI=1S/C15H18N2O2/c1-2-4-14-13(3-1)16-15(19-14)17(12-5-6-12)9-11-7-8-18-10-11/h1-4,11-12H,5-10H2
InChIKeyNMDWFZOCEULZQN-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.83
Rot. Bonds4

About N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,3-benzoxazol-2-amine

N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,3-benzoxazol-2-amine (PubChem CID 86794329) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-(oxolan-3-ylmethyl)-1,3-benzoxazol-2-amine
PubChem CID86794329
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-cyclopropyl-N-(oxolan-3-ylmethyl)-1,3-benzoxazol-2-amine
SMILESc1ccc2oc(N(CC3CCOC3)C3CC3)nc2c1
InChIInChI=1S/C15H18N2O2/c1-2-4-14-13(3-1)16-15(19-14)17(12-5-6-12)9-11-7-8-18-10-11/h1-4,11-12H,5-10H2
InChIKeyNMDWFZOCEULZQN-UHFFFAOYSA-N
XLogP2.83
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-ethyl-1,3-benzoxazol-2-amine
CID 52672975
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1,3-benzoxazole-2,6-diamine
CID 79893019
2-[1,3-benzoxazol-2-yl(cyclopentyl)amino]ethanol
CID 54999201
N'-(1,3-benzoxazol-2-yl)-N'-cyclobutylpropane-1,3-diamine
CID 102874494
N-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine
CID 62351549
N-ethyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-amine
CID 79719885
N-[2-(oxolan-3-yl)-1-phenylethyl]-1,3-benzoxazol-2-amine
CID 133413518
5-bromo-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine
CID 75508619
N-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzoxazol-2-amine
CID 69368653
N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-benzoxazol-2-amine
CID 97164630
N,2-dicyclopropyl-6-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrimidin-4-amine
CID 99821958
4-[[1,3-benzoxazol-2-yl(cyclopropyl)amino]methyl]-7,8-difluoro-1H-quinolin-2-one
CID 25211829

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,3-benzoxazol-2-amine (CID 86794329) is N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,3-benzoxazol-2-amine is c1ccc2oc(N(CC3CCOC3)C3CC3)nc2c1.
What is the InChIKey of N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,3-benzoxazol-2-amine?
The InChIKey is NMDWFZOCEULZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-4-14-13(3-1)16-15(19-14)17(12-5-6-12)9-11-7-8-18-10-11/h1-4,11-12H,5-10H2.
What are the key properties of N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,3-benzoxazol-2-amine?
N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,3-benzoxazol-2-amine has a molecular weight of 258.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 86794329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).