N-[3-(3-methylanilino)-3-oxopropyl]-1,2-oxazole-5-carboxamide

C14H15N3O3 — CID 131915937

IUPACN-[3-(3-methylanilino)-3-oxopropyl]-1,2-oxazole-5-carboxamide
SMILESCc1cccc(NC(=O)CCNC(=O)c2ccno2)c1
InChIInChI=1S/C14H15N3O3/c1-10-3-2-4-11(9-10)17-13(18)6-7-15-14(19)12-5-8-16-20-12/h2-5,8-9H,6-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyPTSHIULSFWBGLZ-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.74
Rot. Bonds5

About N-[3-(3-methylanilino)-3-oxopropyl]-1,2-oxazole-5-carboxamide

N-[3-(3-methylanilino)-3-oxopropyl]-1,2-oxazole-5-carboxamide (PubChem CID 131915937) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[3-(3-methylanilino)-3-oxopropyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methylanilino)-3-oxopropyl]-1,2-oxazole-5-carboxamide
PubChem CID131915937
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[3-(3-methylanilino)-3-oxopropyl]-1,2-oxazole-5-carboxamide
SMILESCc1cccc(NC(=O)CCNC(=O)c2ccno2)c1
InChIInChI=1S/C14H15N3O3/c1-10-3-2-4-11(9-10)17-13(18)6-7-15-14(19)12-5-8-16-20-12/h2-5,8-9H,6-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyPTSHIULSFWBGLZ-UHFFFAOYSA-N
XLogP1.74
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(3-methylphenyl)propanamide
CID 47097671
6-methyl-N-[3-(3-methylanilino)-3-oxopropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 131935086
3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide
CID 17226085
3-(4-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109034139
3-(4-bromoanilino)-N-(3-methylphenyl)propanamide
CID 109034162
2-chloro-N-[3-(3-methylanilino)-3-oxopropyl]-1,3-benzoxazole-5-carboxamide
CID 100787478
3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide
CID 109034148
N-(3-methylphenyl)-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanamide
CID 131927376
N-[3-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 60630049
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228
3-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(3-methylphenyl)propanamide
CID 131901508
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylanilino)-3-oxopropyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-(3-methylanilino)-3-oxopropyl]-1,2-oxazole-5-carboxamide (CID 131915937) is N-[3-(3-methylanilino)-3-oxopropyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(3-methylanilino)-3-oxopropyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(3-methylanilino)-3-oxopropyl]-1,2-oxazole-5-carboxamide is Cc1cccc(NC(=O)CCNC(=O)c2ccno2)c1.
What is the InChIKey of N-[3-(3-methylanilino)-3-oxopropyl]-1,2-oxazole-5-carboxamide?
The InChIKey is PTSHIULSFWBGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-3-2-4-11(9-10)17-13(18)6-7-15-14(19)12-5-8-16-20-12/h2-5,8-9H,6-7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of N-[3-(3-methylanilino)-3-oxopropyl]-1,2-oxazole-5-carboxamide?
N-[3-(3-methylanilino)-3-oxopropyl]-1,2-oxazole-5-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylanilino)-3-oxopropyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 131915937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).