N-[1-[4-(fluoromethyl)phenyl]-2,2-dimethylpropyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide

C20H21FN4O3 — CID 137126197

IUPACN-[1-[4-(fluoromethyl)phenyl]-2,2-dimethylpropyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)(C)C(NC(=O)c1cc(=O)[nH]c(-c2ncco2)n1)c1ccc(CF)cc1
InChIInChI=1S/C20H21FN4O3/c1-20(2,3)16(13-6-4-12(11-21)5-7-13)25-18(27)14-10-15(26)24-17(23-14)19-22-8-9-28-19/h4-10,16H,11H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyMTGRBYKMEZMOMK-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.41
Rot. Bonds5

About N-[1-[4-(fluoromethyl)phenyl]-2,2-dimethylpropyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide

N-[1-[4-(fluoromethyl)phenyl]-2,2-dimethylpropyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 137126197) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[1-[4-(fluoromethyl)phenyl]-2,2-dimethylpropyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(fluoromethyl)phenyl]-2,2-dimethylpropyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID137126197
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC NameN-[1-[4-(fluoromethyl)phenyl]-2,2-dimethylpropyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)(C)C(NC(=O)c1cc(=O)[nH]c(-c2ncco2)n1)c1ccc(CF)cc1
InChIInChI=1S/C20H21FN4O3/c1-20(2,3)16(13-6-4-12(11-21)5-7-13)25-18(27)14-10-15(26)24-17(23-14)19-22-8-9-28-19/h4-10,16H,11H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyMTGRBYKMEZMOMK-UHFFFAOYSA-N
XLogP3.41
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(fluoromethyl)phenyl]-2,2-dimethylpropyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[1-[4-(fluoromethyl)phenyl]-2,2-dimethylpropyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 137126197) is N-[1-[4-(fluoromethyl)phenyl]-2,2-dimethylpropyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-[4-(fluoromethyl)phenyl]-2,2-dimethylpropyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[1-[4-(fluoromethyl)phenyl]-2,2-dimethylpropyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide is CC(C)(C)C(NC(=O)c1cc(=O)[nH]c(-c2ncco2)n1)c1ccc(CF)cc1.
What is the InChIKey of N-[1-[4-(fluoromethyl)phenyl]-2,2-dimethylpropyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is MTGRBYKMEZMOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-20(2,3)16(13-6-4-12(11-21)5-7-13)25-18(27)14-10-15(26)24-17(23-14)19-22-8-9-28-19/h4-10,16H,11H2,1-3H3,(H,25,27)(H,23,24,26).
What are the key properties of N-[1-[4-(fluoromethyl)phenyl]-2,2-dimethylpropyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
N-[1-[4-(fluoromethyl)phenyl]-2,2-dimethylpropyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(fluoromethyl)phenyl]-2,2-dimethylpropyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137126197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).