4-N-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-2-methanimidoylbenzene-1,4-diamine

C16H13FN4O — CID 143498884

IUPAC4-N-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-2-methanimidoylbenzene-1,4-diamine
SMILES[H]/N=C/c1cc(Nc2ncc(-c3ccc(F)cc3)o2)ccc1N
InChIInChI=1S/C16H13FN4O/c17-12-3-1-10(2-4-12)15-9-20-16(22-15)21-13-5-6-14(19)11(7-13)8-18/h1-9,18H,19H2,(H,20,21)/b18-8+
InChIKeyYDMZIVCMQZFROJ-QGMBQPNBSA-N
MW296.31 g/mol
LogP3.80
Rot. Bonds4

About 4-N-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-2-methanimidoylbenzene-1,4-diamine

4-N-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-2-methanimidoylbenzene-1,4-diamine (PubChem CID 143498884) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-N-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-2-methanimidoylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-2-methanimidoylbenzene-1,4-diamine
PubChem CID143498884
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name4-N-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-2-methanimidoylbenzene-1,4-diamine
SMILES[H]/N=C/c1cc(Nc2ncc(-c3ccc(F)cc3)o2)ccc1N
InChIInChI=1S/C16H13FN4O/c17-12-3-1-10(2-4-12)15-9-20-16(22-15)21-13-5-6-14(19)11(7-13)8-18/h1-9,18H,19H2,(H,20,21)/b18-8+
InChIKeyYDMZIVCMQZFROJ-QGMBQPNBSA-N
XLogP3.80
TPSA87.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,5-Diphenyl-2-oxazolamine
CID 5329404
2-[(5-Phenyl-1,3-oxazol-2-yl)amino]benzonitrile
CID 5329843
N-(2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329844
3-[(5-Phenyl-1,3-oxazol-2-yl)amino]benzonitrile
CID 5329845
3-(5-Phenyl-oxazol-2-ylamino)phenylmethanol
CID 5329847
N-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329849
4-[(5-Phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide
CID 5329850
N-(4-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329851
5-phenyl-N-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)oxazol-2-amine
CID 11711943
8-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}-3,4-dihydronaphthalen-2(1H)-one
CID 11955840
N1-[5-(4-Trifluoromethylphenyl)oxazol-2-yl]-5,6,7,8-tetrahydronaphthalene-1,7-diamine
CID 11964241
8-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}-1,2,3,4-tetrahydronaphthalen-2-ol
CID 11964255

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-2-methanimidoylbenzene-1,4-diamine?
The IUPAC name of 4-N-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-2-methanimidoylbenzene-1,4-diamine (CID 143498884) is 4-N-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-2-methanimidoylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-2-methanimidoylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-2-methanimidoylbenzene-1,4-diamine is [H]/N=C/c1cc(Nc2ncc(-c3ccc(F)cc3)o2)ccc1N.
What is the InChIKey of 4-N-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-2-methanimidoylbenzene-1,4-diamine?
The InChIKey is YDMZIVCMQZFROJ-QGMBQPNBSA-N. The full InChI is InChI=1S/C16H13FN4O/c17-12-3-1-10(2-4-12)15-9-20-16(22-15)21-13-5-6-14(19)11(7-13)8-18/h1-9,18H,19H2,(H,20,21)/b18-8+.
What are the key properties of 4-N-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-2-methanimidoylbenzene-1,4-diamine?
4-N-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-2-methanimidoylbenzene-1,4-diamine has a molecular weight of 296.31 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-2-methanimidoylbenzene-1,4-diamine is sourced from PubChem (CID 143498884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).