1-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropane-1-carboxamide

C14H17N3O2 — CID 119805023

IUPAC1-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESCc1cccc2oc(CCNC(=O)C3(N)CC3)nc12
InChIInChI=1S/C14H17N3O2/c1-9-3-2-4-10-12(9)17-11(19-10)5-8-16-13(18)14(15)6-7-14/h2-4H,5-8,15H2,1H3,(H,16,18)
InChIKeyLQTQNYADNKOIJG-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.29
Rot. Bonds4

About 1-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropane-1-carboxamide

1-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 119805023) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID119805023
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESCc1cccc2oc(CCNC(=O)C3(N)CC3)nc12
InChIInChI=1S/C14H17N3O2/c1-9-3-2-4-10-12(9)17-11(19-10)5-8-16-13(18)14(15)6-7-14/h2-4H,5-8,15H2,1H3,(H,16,18)
InChIKeyLQTQNYADNKOIJG-UHFFFAOYSA-N
XLogP1.29
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]oxane-4-carboxamide
CID 120935259
(2R)-2-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]propanamide
CID 119335823
2-[ethylsulfonyl(methyl)amino]-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide
CID 100638472
2-(2-methoxyethylamino)-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide
CID 119805097
N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119805095
1-[(4-methyl-1,3-benzoxazol-2-yl)methyl]cyclobutan-1-amine
CID 79846182
2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride
CID 91662919
N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119335797
1-(4-methyl-1,3-benzoxazol-2-yl)butan-2-one
CID 112710879
2-methyl-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 131896751
2-[1-[(4-methyl-1,3-benzoxazol-2-yl)methyl]cyclohexyl]acetic acid
CID 61037452
2-(3-chloropropyl)-4-methyl-1,3-benzoxazole
CID 61037198

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropane-1-carboxamide (CID 119805023) is 1-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropane-1-carboxamide is Cc1cccc2oc(CCNC(=O)C3(N)CC3)nc12.
What is the InChIKey of 1-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is LQTQNYADNKOIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-3-2-4-10-12(9)17-11(19-10)5-8-16-13(18)14(15)6-7-14/h2-4H,5-8,15H2,1H3,(H,16,18).
What are the key properties of 1-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropane-1-carboxamide?
1-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119805023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).