N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C19H18FN5O3 — CID 155912706

IUPACN-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1nc(N2CCOCC2)ncc1F
InChIInChI=1S/C19H18FN5O3/c1-12-15(16(24-28-12)13-5-3-2-4-6-13)18(26)22-17-14(20)11-21-19(23-17)25-7-9-27-10-8-25/h2-6,11H,7-10H2,1H3,(H,21,22,23,26)
InChIKeyNMLVVPDGLUSKPT-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.67
Rot. Bonds4

About N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 155912706) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID155912706
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC NameN-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1nc(N2CCOCC2)ncc1F
InChIInChI=1S/C19H18FN5O3/c1-12-15(16(24-28-12)13-5-3-2-4-6-13)18(26)22-17-14(20)11-21-19(23-17)25-7-9-27-10-8-25/h2-6,11H,7-10H2,1H3,(H,21,22,23,26)
InChIKeyNMLVVPDGLUSKPT-UHFFFAOYSA-N
XLogP2.67
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimorpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4794943
N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 138046221
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)oxolane-3-carboxamide
CID 155915789
N-imidazo[1,2-a]pyrimidin-7-yl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 71728560
N-(3-chloro-2-fluorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26897303
3-(4-fluorophenyl)-5-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-1,2-oxazole-4-carboxamide
CID 94026544
N-[3-[(4-fluorophenyl)methoxy]phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 34608313
5-methyl-N-(1,2-oxazol-3-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 1244977
5-methyl-3-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 1223086
5-fluoro-N-(2-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 786847
3-(4-fluorophenyl)-5-methyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 55608043

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 155912706) is N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(N2CCOCC2)ncc1F.
What is the InChIKey of N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is NMLVVPDGLUSKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3/c1-12-15(16(24-28-12)13-5-3-2-4-6-13)18(26)22-17-14(20)11-21-19(23-17)25-7-9-27-10-8-25/h2-6,11H,7-10H2,1H3,(H,21,22,23,26).
What are the key properties of N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 383.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 155912706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).