1-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide

C11H17N3O2 — CID 106371594

IUPAC1-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1nc(CNC(=O)C2(CN)CC2)oc1C
InChIInChI=1S/C11H17N3O2/c1-7-8(2)16-9(14-7)5-13-10(15)11(6-12)3-4-11/h3-6,12H2,1-2H3,(H,13,15)
InChIKeyQFGWFQRQNURYJV-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.65
Rot. Bonds4

About 1-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 106371594) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide
PubChem CID106371594
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1nc(CNC(=O)C2(CN)CC2)oc1C
InChIInChI=1S/C11H17N3O2/c1-7-8(2)16-9(14-7)5-13-10(15)11(6-12)3-4-11/h3-6,12H2,1-2H3,(H,13,15)
InChIKeyQFGWFQRQNURYJV-UHFFFAOYSA-N
XLogP0.65
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide (CID 106371594) is 1-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide is Cc1nc(CNC(=O)C2(CN)CC2)oc1C.
What is the InChIKey of 1-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is QFGWFQRQNURYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-8(2)16-9(14-7)5-13-10(15)11(6-12)3-4-11/h3-6,12H2,1-2H3,(H,13,15).
What are the key properties of 1-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 106371594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).