2-anilino-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrimidine-5-carboxamide

C17H17N5O2 — CID 72911581

IUPAC2-anilino-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESCC(c1ccon1)N(C)C(=O)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C17H17N5O2/c1-12(15-8-9-24-21-15)22(2)16(23)13-10-18-17(19-11-13)20-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,18,19,20)
InChIKeyDMRBUILTXZPJFF-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.04
Rot. Bonds5

About 2-anilino-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrimidine-5-carboxamide

2-anilino-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 72911581) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-anilino-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-anilino-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID72911581
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-anilino-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESCC(c1ccon1)N(C)C(=O)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C17H17N5O2/c1-12(15-8-9-24-21-15)22(2)16(23)13-10-18-17(19-11-13)20-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,18,19,20)
InChIKeyDMRBUILTXZPJFF-UHFFFAOYSA-N
XLogP3.04
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97209998
2-anilino-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrimidine-5-carboxamide
CID 72894351
2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248518
N-methyl-N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109265906
2-methoxy-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]quinoline-4-carboxamide
CID 126432024
3-(2-aminoethoxy)-N,4-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 118793692
3-(2-aminoethoxy)-N,4-dimethyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 126452166
2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide
CID 72843392
N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 95136559
N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 97122025
2-anilino-N-(1,1-dioxothian-4-yl)-N-methylpyrimidine-5-carboxamide
CID 72881058
N-methyl-3-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 45191105

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-anilino-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrimidine-5-carboxamide (CID 72911581) is 2-anilino-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-anilino-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-anilino-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrimidine-5-carboxamide is CC(c1ccon1)N(C)C(=O)c1cnc(Nc2ccccc2)nc1.
What is the InChIKey of 2-anilino-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is DMRBUILTXZPJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12(15-8-9-24-21-15)22(2)16(23)13-10-18-17(19-11-13)20-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,18,19,20).
What are the key properties of 2-anilino-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrimidine-5-carboxamide?
2-anilino-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72911581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).