2-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]propan-1-amine

C13H18N2O2 — CID 117098400

IUPAC2-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]propan-1-amine
SMILESCC(CN)Oc1ccc2nc(C(C)C)oc2c1
InChIInChI=1S/C13H18N2O2/c1-8(2)13-15-11-5-4-10(6-12(11)17-13)16-9(3)7-14/h4-6,8-9H,7,14H2,1-3H3
InChIKeyYTVMSIUXXBSDDT-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.68
Rot. Bonds4

About 2-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]propan-1-amine

2-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]propan-1-amine (PubChem CID 117098400) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]propan-1-amine.

Molecular Properties

Compound Name2-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]propan-1-amine
PubChem CID117098400
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]propan-1-amine
SMILESCC(CN)Oc1ccc2nc(C(C)C)oc2c1
InChIInChI=1S/C13H18N2O2/c1-8(2)13-15-11-5-4-10(6-12(11)17-13)16-9(3)7-14/h4-6,8-9H,7,14H2,1-3H3
InChIKeyYTVMSIUXXBSDDT-UHFFFAOYSA-N
XLogP2.68
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]butanoic acid
CID 117098396
[4-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxymethyl]phenyl]methanamine
CID 117098416
(2-propan-2-yl-1,3-benzoxazol-6-yl)methanamine
CID 82357425
2-(1,3-benzoxazol-6-yloxy)propan-1-amine
CID 117098364
4-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxymethyl]aniline
CID 117098415
2-[(2-phenyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine
CID 117098248
3-amino-1-(6-methoxy-1,3-benzoxazol-2-yl)propan-1-ol
CID 107837480
N-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089495
2-(3,4-dimethylphenoxy)propan-1-amine
CID 17169740
N-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide
CID 53017044
N-(2-propan-2-yl-1,3-benzoxazol-6-yl)-4-propan-2-yloxybenzenesulfonamide
CID 84563760
2-(1,3-benzodioxol-5-yloxy)propan-1-amine
CID 22688832

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]propan-1-amine?
The IUPAC name of 2-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]propan-1-amine (CID 117098400) is 2-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]propan-1-amine.
What is the SMILES notation for 2-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]propan-1-amine?
The canonical SMILES for 2-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]propan-1-amine is CC(CN)Oc1ccc2nc(C(C)C)oc2c1.
What is the InChIKey of 2-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]propan-1-amine?
The InChIKey is YTVMSIUXXBSDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8(2)13-15-11-5-4-10(6-12(11)17-13)16-9(3)7-14/h4-6,8-9H,7,14H2,1-3H3.
What are the key properties of 2-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]propan-1-amine?
2-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]propan-1-amine has a molecular weight of 234.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]propan-1-amine is sourced from PubChem (CID 117098400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).