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

C13H16N2O — CID 116929013

IUPAC[1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropyl]methanamine
SMILESCc1nc2cc(CC3(CN)CC3)ccc2o1
InChIInChI=1S/C13H16N2O/c1-9-15-11-6-10(2-3-12(11)16-9)7-13(8-14)4-5-13/h2-3,6H,4-5,7-8,14H2,1H3
InChIKeyWFYZXTFWGCSPQS-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.42
Rot. Bonds3

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

[1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropyl]methanamine (PubChem CID 116929013) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is [1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropyl]methanamine
PubChem CID116929013
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name[1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropyl]methanamine
SMILESCc1nc2cc(CC3(CN)CC3)ccc2o1
InChIInChI=1S/C13H16N2O/c1-9-15-11-6-10(2-3-12(11)16-9)7-13(8-14)4-5-13/h2-3,6H,4-5,7-8,14H2,1H3
InChIKeyWFYZXTFWGCSPQS-UHFFFAOYSA-N
XLogP2.42
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol
CID 116930397
[1-[(3-methylquinolin-6-yl)methyl]cyclopropyl]methanamine
CID 116997478
3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetane-3-carboxylic acid
CID 116930146
[1-(1-benzofuran-5-ylmethyl)cyclopropyl]methanamine
CID 83819398
N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]ethane-1,2-diamine
CID 115195341
2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole
CID 116932187
N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimine
CID 143344954
carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole
CID 162219580
1-[[(2-methyl-1,3-benzoxazol-5-yl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242952
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
3-methyl-1-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butane-1,3-diamine
CID 115200643
[1-[(4-fluoro-3-methylphenyl)methyl]cyclopropyl]methanamine
CID 82401788

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropyl]methanamine?
The IUPAC name of [1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropyl]methanamine (CID 116929013) is [1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropyl]methanamine is Cc1nc2cc(CC3(CN)CC3)ccc2o1.
What is the InChIKey of [1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropyl]methanamine?
The InChIKey is WFYZXTFWGCSPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-15-11-6-10(2-3-12(11)16-9)7-13(8-14)4-5-13/h2-3,6H,4-5,7-8,14H2,1H3.
What are the key properties of [1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropyl]methanamine?
[1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropyl]methanamine has a molecular weight of 216.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropyl]methanamine is sourced from PubChem (CID 116929013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).