1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-(5-fluoro-3-pyridinyl)-1-methylurea

C14H15FN4O2 — CID 118788560

IUPAC1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-(5-fluoro-3-pyridinyl)-1-methylurea
SMILESCN(Cc1cc(C2CC2)on1)C(=O)Nc1cncc(F)c1
InChIInChI=1S/C14H15FN4O2/c1-19(8-12-5-13(21-18-12)9-2-3-9)14(20)17-11-4-10(15)6-16-7-11/h4-7,9H,2-3,8H2,1H3,(H,17,20)
InChIKeyUEMAVSUZAABFIK-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.75
Rot. Bonds4

About 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-(5-fluoro-3-pyridinyl)-1-methylurea

1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-(5-fluoro-3-pyridinyl)-1-methylurea (PubChem CID 118788560) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-(5-fluoro-3-pyridinyl)-1-methylurea.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-(5-fluoro-3-pyridinyl)-1-methylurea
PubChem CID118788560
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-(5-fluoro-3-pyridinyl)-1-methylurea
SMILESCN(Cc1cc(C2CC2)on1)C(=O)Nc1cncc(F)c1
InChIInChI=1S/C14H15FN4O2/c1-19(8-12-5-13(21-18-12)9-2-3-9)14(20)17-11-4-10(15)6-16-7-11/h4-7,9H,2-3,8H2,1H3,(H,17,20)
InChIKeyUEMAVSUZAABFIK-UHFFFAOYSA-N
XLogP2.75
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea
CID 119069149
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea
CID 72862665
3-(3,4-difluorophenyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47194688
(2R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-ethoxy-N-methylpropanamide
CID 126434861
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-3-[(3S)-3-morpholin-4-ylbutyl]urea
CID 125439774
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea
CID 122558814
(4R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95212780
5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158181
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-2,7-dioxo-1,3-diazepane-4-carboxamide
CID 118776638
N-(5-fluoro-3-pyridinyl)-2,2-dimethylpropanamide
CID 86726332
N-methyl-N-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]phenyl]acetamide
CID 86862693
1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methyl-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 77084760

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-(5-fluoro-3-pyridinyl)-1-methylurea?
The IUPAC name of 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-(5-fluoro-3-pyridinyl)-1-methylurea (CID 118788560) is 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-(5-fluoro-3-pyridinyl)-1-methylurea.
What is the SMILES notation for 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-(5-fluoro-3-pyridinyl)-1-methylurea?
The canonical SMILES for 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-(5-fluoro-3-pyridinyl)-1-methylurea is CN(Cc1cc(C2CC2)on1)C(=O)Nc1cncc(F)c1.
What is the InChIKey of 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-(5-fluoro-3-pyridinyl)-1-methylurea?
The InChIKey is UEMAVSUZAABFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-19(8-12-5-13(21-18-12)9-2-3-9)14(20)17-11-4-10(15)6-16-7-11/h4-7,9H,2-3,8H2,1H3,(H,17,20).
What are the key properties of 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-(5-fluoro-3-pyridinyl)-1-methylurea?
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-(5-fluoro-3-pyridinyl)-1-methylurea has a molecular weight of 290.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-(5-fluoro-3-pyridinyl)-1-methylurea is sourced from PubChem (CID 118788560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).