1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-2-amine

C13H18N2O — CID 83888273

IUPAC1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-2-amine
SMILESCC(N)Cc1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C13H18N2O/c1-8(2)13-15-11-7-10(6-9(3)14)4-5-12(11)16-13/h4-5,7-9H,6,14H2,1-3H3
InChIKeyVOSASUIQWVMSSH-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.84
Rot. Bonds3

About 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-2-amine

1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-2-amine (PubChem CID 83888273) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-2-amine
PubChem CID83888273
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-2-amine
SMILESCC(N)Cc1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C13H18N2O/c1-8(2)13-15-11-7-10(6-9(3)14)4-5-12(11)16-13/h4-5,7-9H,6,14H2,1-3H3
InChIKeyVOSASUIQWVMSSH-UHFFFAOYSA-N
XLogP2.84
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)propanoic acid
CID 117373393
5-(bromomethyl)-2-propan-2-yl-1,3-benzoxazole
CID 15662276
1-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]propan-2-amine
CID 84704388
2,2-dimethyl-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)propanoic acid
CID 117407398
2-propan-2-yl-1,3-benzoxazole-5-thiol
CID 138604621
(2-propan-2-yl-1,3-benzoxazol-6-yl)methanamine
CID 82357425
5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole
CID 84678196
2-methoxy-5-(2-methylpropyl)-1,3-benzoxazole
CID 59731320
2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one
CID 82289176
2-(2-propan-2-yl-1,3-benzoxazol-5-yl)-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]ethanamine
CID 167811038
1-quinoxalin-6-ylpropan-2-amine
CID 55253948
N-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745087

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-2-amine?
The IUPAC name of 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-2-amine (CID 83888273) is 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-2-amine is CC(N)Cc1ccc2oc(C(C)C)nc2c1.
What is the InChIKey of 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-2-amine?
The InChIKey is VOSASUIQWVMSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8(2)13-15-11-7-10(6-9(3)14)4-5-12(11)16-13/h4-5,7-9H,6,14H2,1-3H3.
What are the key properties of 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-2-amine?
1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-2-amine has a molecular weight of 218.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-2-amine is sourced from PubChem (CID 83888273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).