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

C13H16N2O — CID 60918378

IUPAC1-cyclopropyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]methanamine
SMILESCc1ccc2oc(CNCC3CC3)nc2c1
InChIInChI=1S/C13H16N2O/c1-9-2-5-12-11(6-9)15-13(16-12)8-14-7-10-3-4-10/h2,5-6,10,14H,3-4,7-8H2,1H3
InChIKeyRAIPZOWCIBIDCB-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.64
Rot. Bonds4

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

1-cyclopropyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]methanamine (PubChem CID 60918378) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]methanamine
PubChem CID60918378
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-cyclopropyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]methanamine
SMILESCc1ccc2oc(CNCC3CC3)nc2c1
InChIInChI=1S/C13H16N2O/c1-9-2-5-12-11(6-9)15-13(16-12)8-14-7-10-3-4-10/h2,5-6,10,14H,3-4,7-8H2,1H3
InChIKeyRAIPZOWCIBIDCB-UHFFFAOYSA-N
XLogP2.64
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methoxymethyl)-5-methyl-1,3-benzoxazole
CID 123289847
5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372317
methyl 2-(ethylaminomethyl)-1,3-benzoxazole-5-carboxylate
CID 83949095
N-(2-bromoethyl)-2-(5-methyl-1,3-benzoxazol-2-yl)acetamide
CID 54122602
2-[(4-chlorophenoxy)methyl]-5-methyl-1,3-benzoxazole
CID 10445998
N-[(5-methylsulfonyl-1,3-benzoxazol-2-yl)methyl]ethanamine
CID 81434082
2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)butan-2-amine
CID 62048509
2-[[4-(chloromethyl)phenyl]methyl]-5-methyl-1,3-benzoxazole
CID 142008394
5-[[(5-bromo-1,3-benzoxazol-2-yl)methylamino]methyl]pyrrolidin-2-one
CID 166151485
5-methyl-2-(morpholin-2-ylmethyl)-1,3-benzoxazole
CID 66434043
1-[(5-methyl-1,3-benzoxazol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 60917797
2-(5-methyl-1,3-benzoxazol-2-yl)-1-morpholin-4-ylethanone
CID 54431192

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]methanamine (CID 60918378) is 1-cyclopropyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]methanamine is Cc1ccc2oc(CNCC3CC3)nc2c1.
What is the InChIKey of 1-cyclopropyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]methanamine?
The InChIKey is RAIPZOWCIBIDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-2-5-12-11(6-9)15-13(16-12)8-14-7-10-3-4-10/h2,5-6,10,14H,3-4,7-8H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]methanamine?
1-cyclopropyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]methanamine has a molecular weight of 216.28 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 60918378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).