1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-[2-(1-methylcyclopropyl)pyrimidin-4-yl]urea

C15H19N5O2 — CID 126831085

IUPAC1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-[2-(1-methylcyclopropyl)pyrimidin-4-yl]urea
SMILESCCc1cnc(CNC(=O)Nc2ccnc(C3(C)CC3)n2)o1
InChIInChI=1S/C15H19N5O2/c1-3-10-8-17-12(22-10)9-18-14(21)20-11-4-7-16-13(19-11)15(2)5-6-15/h4,7-8H,3,5-6,9H2,1-2H3,(H2,16,18,19,20,21)
InChIKeyBPTMBGSCLWCEEJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.40
Rot. Bonds5

About 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-[2-(1-methylcyclopropyl)pyrimidin-4-yl]urea

1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-[2-(1-methylcyclopropyl)pyrimidin-4-yl]urea (PubChem CID 126831085) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-[2-(1-methylcyclopropyl)pyrimidin-4-yl]urea.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-[2-(1-methylcyclopropyl)pyrimidin-4-yl]urea
PubChem CID126831085
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-[2-(1-methylcyclopropyl)pyrimidin-4-yl]urea
SMILESCCc1cnc(CNC(=O)Nc2ccnc(C3(C)CC3)n2)o1
InChIInChI=1S/C15H19N5O2/c1-3-10-8-17-12(22-10)9-18-14(21)20-11-4-7-16-13(19-11)15(2)5-6-15/h4,7-8H,3,5-6,9H2,1-2H3,(H2,16,18,19,20,21)
InChIKeyBPTMBGSCLWCEEJ-UHFFFAOYSA-N
XLogP2.40
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-[2-(1-methylcyclopropyl)pyrimidin-4-yl]urea with MolForge

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Related Compounds

5-Tert-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 52163017
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479416
2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 164631259
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103946638
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 104969953
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluoropyrimidin-4-amine
CID 106375375
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine
CID 106375379
6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106375408
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 106375429
6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106375471
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106378424
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106378482

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-[2-(1-methylcyclopropyl)pyrimidin-4-yl]urea?
The IUPAC name of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-[2-(1-methylcyclopropyl)pyrimidin-4-yl]urea (CID 126831085) is 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-[2-(1-methylcyclopropyl)pyrimidin-4-yl]urea.
What is the SMILES notation for 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-[2-(1-methylcyclopropyl)pyrimidin-4-yl]urea?
The canonical SMILES for 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-[2-(1-methylcyclopropyl)pyrimidin-4-yl]urea is CCc1cnc(CNC(=O)Nc2ccnc(C3(C)CC3)n2)o1.
What is the InChIKey of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-[2-(1-methylcyclopropyl)pyrimidin-4-yl]urea?
The InChIKey is BPTMBGSCLWCEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-3-10-8-17-12(22-10)9-18-14(21)20-11-4-7-16-13(19-11)15(2)5-6-15/h4,7-8H,3,5-6,9H2,1-2H3,(H2,16,18,19,20,21).
What are the key properties of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-[2-(1-methylcyclopropyl)pyrimidin-4-yl]urea?
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-[2-(1-methylcyclopropyl)pyrimidin-4-yl]urea has a molecular weight of 301.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-[2-(1-methylcyclopropyl)pyrimidin-4-yl]urea is sourced from PubChem (CID 126831085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).