1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide

C17H21N3O2 — CID 119758810

IUPAC1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide
SMILESCN(CCCc1cc(-c2ccccc2)no1)C(=O)C1(N)CC1
InChIInChI=1S/C17H21N3O2/c1-20(16(21)17(18)9-10-17)11-5-8-14-12-15(19-22-14)13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11,18H2,1H3
InChIKeyVRXBFNAYUVNRTG-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.22
Rot. Bonds6

About 1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide

1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide (PubChem CID 119758810) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide
PubChem CID119758810
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide
SMILESCN(CCCc1cc(-c2ccccc2)no1)C(=O)C1(N)CC1
InChIInChI=1S/C17H21N3O2/c1-20(16(21)17(18)9-10-17)11-5-8-14-12-15(19-22-14)13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11,18H2,1H3
InChIKeyVRXBFNAYUVNRTG-UHFFFAOYSA-N
XLogP2.22
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide (CID 119758810) is 1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide is CN(CCCc1cc(-c2ccccc2)no1)C(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide?
The InChIKey is VRXBFNAYUVNRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-20(16(21)17(18)9-10-17)11-5-8-14-12-15(19-22-14)13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11,18H2,1H3.
What are the key properties of 1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide?
1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119758810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).