1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea

C15H19FN6O2 — CID 95320049

IUPAC1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
SMILESCc1nnnn1-c1cc(NC(=O)N[C@@H](C)[C@H]2CCCO2)ccc1F
InChIInChI=1S/C15H19FN6O2/c1-9(14-4-3-7-24-14)17-15(23)18-11-5-6-12(16)13(8-11)22-10(2)19-20-21-22/h5-6,8-9,14H,3-4,7H2,1-2H3,(H2,17,18,23)/t9-,14+/m0/s1
InChIKeyLUMHZDFPPKJBLH-LKFCYVNXSA-N
MW334.36 g/mol
LogP1.80
Rot. Bonds4

About 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea

1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea (PubChem CID 95320049) has the molecular formula C15H19FN6O2 and a molecular weight of 334.36 g/mol. Its IUPAC name is 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
PubChem CID95320049
Molecular FormulaC15H19FN6O2
Molecular Weight334.36 g/mol
Exact Mass334.16
IUPAC Name1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
SMILESCc1nnnn1-c1cc(NC(=O)N[C@@H](C)[C@H]2CCCO2)ccc1F
InChIInChI=1S/C15H19FN6O2/c1-9(14-4-3-7-24-14)17-15(23)18-11-5-6-12(16)13(8-11)22-10(2)19-20-21-22/h5-6,8-9,14H,3-4,7H2,1-2H3,(H2,17,18,23)/t9-,14+/m0/s1
InChIKeyLUMHZDFPPKJBLH-LKFCYVNXSA-N
XLogP1.80
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea with MolForge

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Related Compounds

1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 166208770
(4aR,8aS)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine-6-carboxamide
CID 129344839
4-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61198516
(2R,3S)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120930079
1-(3-acetylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 3246785
3-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61193817
(3R)-3-ethyl-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
CID 95320044
1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[3,3,3-trifluoro-1-[4-(trifluoromethyl)phenyl]propyl]urea
CID 146076701
1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 6468062
1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95571029
1-(3-bromo-4-methoxyphenyl)-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 96530944
3-fluoro-4-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 63190371

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The IUPAC name of 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea (CID 95320049) is 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea.
What is the SMILES notation for 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The canonical SMILES for 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea is Cc1nnnn1-c1cc(NC(=O)N[C@@H](C)[C@H]2CCCO2)ccc1F.
What is the InChIKey of 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The InChIKey is LUMHZDFPPKJBLH-LKFCYVNXSA-N. The full InChI is InChI=1S/C15H19FN6O2/c1-9(14-4-3-7-24-14)17-15(23)18-11-5-6-12(16)13(8-11)22-10(2)19-20-21-22/h5-6,8-9,14H,3-4,7H2,1-2H3,(H2,17,18,23)/t9-,14+/m0/s1.
What are the key properties of 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea?
1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea has a molecular weight of 334.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea is sourced from PubChem (CID 95320049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).