N-[2-[1-(1,3-benzoxazol-2-yl)ethylamino]-2-oxoethyl]cyclopropanecarboxamide

C15H17N3O3 — CID 110278870

IUPACN-[2-[1-(1,3-benzoxazol-2-yl)ethylamino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCC(NC(=O)CNC(=O)C1CC1)c1nc2ccccc2o1
InChIInChI=1S/C15H17N3O3/c1-9(15-18-11-4-2-3-5-12(11)21-15)17-13(19)8-16-14(20)10-6-7-10/h2-5,9-10H,6-8H2,1H3,(H,16,20)(H,17,19)
InChIKeyVLRDCTOSQQDATN-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.53
Rot. Bonds5

About N-[2-[1-(1,3-benzoxazol-2-yl)ethylamino]-2-oxoethyl]cyclopropanecarboxamide

N-[2-[1-(1,3-benzoxazol-2-yl)ethylamino]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 110278870) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[2-[1-(1,3-benzoxazol-2-yl)ethylamino]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(1,3-benzoxazol-2-yl)ethylamino]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID110278870
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[2-[1-(1,3-benzoxazol-2-yl)ethylamino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCC(NC(=O)CNC(=O)C1CC1)c1nc2ccccc2o1
InChIInChI=1S/C15H17N3O3/c1-9(15-18-11-4-2-3-5-12(11)21-15)17-13(19)8-16-14(20)10-6-7-10/h2-5,9-10H,6-8H2,1H3,(H,16,20)(H,17,19)
InChIKeyVLRDCTOSQQDATN-UHFFFAOYSA-N
XLogP1.53
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-benzoxazol-2-yl)ethyl]cyclohexanecarboxamide
CID 110278943
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 110278979
N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 110278820
N-[1-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 110278882
1-(1,3-benzoxazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18145860
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,2-dimethylbutanamide
CID 110278975
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 110278694
N-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 110278958
N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18116519
N-[2-[[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 41200270
N-[2-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 17466097
N-[1-(1,3-benzoxazol-2-yl)ethyl]-3-(4-chloropyrazol-1-yl)-2-methylpropanamide
CID 110278723

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1,3-benzoxazol-2-yl)ethylamino]-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(1,3-benzoxazol-2-yl)ethylamino]-2-oxoethyl]cyclopropanecarboxamide (CID 110278870) is N-[2-[1-(1,3-benzoxazol-2-yl)ethylamino]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(1,3-benzoxazol-2-yl)ethylamino]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(1,3-benzoxazol-2-yl)ethylamino]-2-oxoethyl]cyclopropanecarboxamide is CC(NC(=O)CNC(=O)C1CC1)c1nc2ccccc2o1.
What is the InChIKey of N-[2-[1-(1,3-benzoxazol-2-yl)ethylamino]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is VLRDCTOSQQDATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9(15-18-11-4-2-3-5-12(11)21-15)17-13(19)8-16-14(20)10-6-7-10/h2-5,9-10H,6-8H2,1H3,(H,16,20)(H,17,19).
What are the key properties of N-[2-[1-(1,3-benzoxazol-2-yl)ethylamino]-2-oxoethyl]cyclopropanecarboxamide?
N-[2-[1-(1,3-benzoxazol-2-yl)ethylamino]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1,3-benzoxazol-2-yl)ethylamino]-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 110278870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).