N-methyl-1-(5-propyl-1,3-benzoxazol-2-yl)methanamine

C12H16N2O — CID 82230271

IUPACN-methyl-1-(5-propyl-1,3-benzoxazol-2-yl)methanamine
SMILESCCCc1ccc2oc(CNC)nc2c1
InChIInChI=1S/C12H16N2O/c1-3-4-9-5-6-11-10(7-9)14-12(15-11)8-13-2/h5-7,13H,3-4,8H2,1-2H3
InChIKeyQRTAOPOUCNRHSL-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.50
Rot. Bonds4

About N-methyl-1-(5-propyl-1,3-benzoxazol-2-yl)methanamine

N-methyl-1-(5-propyl-1,3-benzoxazol-2-yl)methanamine (PubChem CID 82230271) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-methyl-1-(5-propyl-1,3-benzoxazol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-propyl-1,3-benzoxazol-2-yl)methanamine
PubChem CID82230271
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-methyl-1-(5-propyl-1,3-benzoxazol-2-yl)methanamine
SMILESCCCc1ccc2oc(CNC)nc2c1
InChIInChI=1S/C12H16N2O/c1-3-4-9-5-6-11-10(7-9)14-12(15-11)8-13-2/h5-7,13H,3-4,8H2,1-2H3
InChIKeyQRTAOPOUCNRHSL-UHFFFAOYSA-N
XLogP2.50
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-decyl-2-propyl-1,3-benzoxazole
CID 170290487
1-(5-tert-butyl-1,3-benzoxazol-2-yl)-N-methylmethanamine
CID 43554598
5-propyl-1,3-benzoxazol-2-amine
CID 62548389
N-methyl-1-(5-propan-2-yl-1,3-benzoxazol-2-yl)methanamine
CID 82230268
1-[2-(2-cyclohexylethyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357650
5-fluoro-2-propyl-1,3-benzoxazole
CID 82229772
1-(6-chloro-5-methyl-1,3-benzoxazol-2-yl)-N-methylmethanamine
CID 82230581
(5-butyl-1,3-benzoxazol-2-yl)hydrazine
CID 82230351
[2-(aminomethyl)-1,3-benzoxazol-5-yl]methanamine
CID 83949465
2-ethyl-N-methyl-1,3-benzoxazol-5-amine
CID 63090196
2-[5-(aminomethyl)-1,3-benzoxazol-2-yl]ethanamine
CID 83949471
6,18-dipropyl-10,14-dioxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 132605895

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-propyl-1,3-benzoxazol-2-yl)methanamine?
The IUPAC name of N-methyl-1-(5-propyl-1,3-benzoxazol-2-yl)methanamine (CID 82230271) is N-methyl-1-(5-propyl-1,3-benzoxazol-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-propyl-1,3-benzoxazol-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-propyl-1,3-benzoxazol-2-yl)methanamine is CCCc1ccc2oc(CNC)nc2c1.
What is the InChIKey of N-methyl-1-(5-propyl-1,3-benzoxazol-2-yl)methanamine?
The InChIKey is QRTAOPOUCNRHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-4-9-5-6-11-10(7-9)14-12(15-11)8-13-2/h5-7,13H,3-4,8H2,1-2H3.
What are the key properties of N-methyl-1-(5-propyl-1,3-benzoxazol-2-yl)methanamine?
N-methyl-1-(5-propyl-1,3-benzoxazol-2-yl)methanamine has a molecular weight of 204.27 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-propyl-1,3-benzoxazol-2-yl)methanamine is sourced from PubChem (CID 82230271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).