1-(aminomethyl)-N-(1,3-benzoxazol-6-yl)-N-methylcyclopropane-1-carboxamide

C13H15N3O2 — CID 115182634

IUPAC1-(aminomethyl)-N-(1,3-benzoxazol-6-yl)-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(CN)CC1)c1ccc2ncoc2c1
InChIInChI=1S/C13H15N3O2/c1-16(12(17)13(7-14)4-5-13)9-2-3-10-11(6-9)18-8-15-10/h2-3,6,8H,4-5,7,14H2,1H3
InChIKeyRBWAHDRKYAQPSF-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.53
Rot. Bonds3

About 1-(aminomethyl)-N-(1,3-benzoxazol-6-yl)-N-methylcyclopropane-1-carboxamide

1-(aminomethyl)-N-(1,3-benzoxazol-6-yl)-N-methylcyclopropane-1-carboxamide (PubChem CID 115182634) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1,3-benzoxazol-6-yl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1,3-benzoxazol-6-yl)-N-methylcyclopropane-1-carboxamide
PubChem CID115182634
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-(aminomethyl)-N-(1,3-benzoxazol-6-yl)-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(CN)CC1)c1ccc2ncoc2c1
InChIInChI=1S/C13H15N3O2/c1-16(12(17)13(7-14)4-5-13)9-2-3-10-11(6-9)18-8-15-10/h2-3,6,8H,4-5,7,14H2,1H3
InChIKeyRBWAHDRKYAQPSF-UHFFFAOYSA-N
XLogP1.53
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1,3-benzoxazol-6-yl)-N,2-dimethylbutanamide
CID 115155993
4-amino-N-(1,3-benzoxazol-6-yl)-N,3,3-trimethylbutanamide
CID 115157280
1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 115182580
1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide
CID 115182653
N-(1,3-benzoxazol-6-yl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178685
3-amino-4-[1,3-benzoxazol-6-yl(methyl)amino]-4-oxobutanoic acid
CID 115181281
4-[1,3-benzoxazol-6-yl(methyl)amino]-2-methyl-4-oxobutanoic acid
CID 115165031
N'-(1,3-benzoxazol-6-yl)-N'-methylbutane-1,4-diamine
CID 115201146
4-amino-1-[1,3-benzoxazol-6-yl(methyl)amino]butan-2-ol
CID 117039134
1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182589
4-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]benzoic acid
CID 104698752
2-N-(1,3-benzoxazol-6-yl)-2-N-methylpropane-1,2-diamine
CID 117039932

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1,3-benzoxazol-6-yl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1,3-benzoxazol-6-yl)-N-methylcyclopropane-1-carboxamide (CID 115182634) is 1-(aminomethyl)-N-(1,3-benzoxazol-6-yl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1,3-benzoxazol-6-yl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1,3-benzoxazol-6-yl)-N-methylcyclopropane-1-carboxamide is CN(C(=O)C1(CN)CC1)c1ccc2ncoc2c1.
What is the InChIKey of 1-(aminomethyl)-N-(1,3-benzoxazol-6-yl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is RBWAHDRKYAQPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-16(12(17)13(7-14)4-5-13)9-2-3-10-11(6-9)18-8-15-10/h2-3,6,8H,4-5,7,14H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(1,3-benzoxazol-6-yl)-N-methylcyclopropane-1-carboxamide?
1-(aminomethyl)-N-(1,3-benzoxazol-6-yl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1,3-benzoxazol-6-yl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 115182634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).