6-butyl-2-phenyl-4H-1,3-oxazine

C14H17NO — CID 54769462

IUPAC6-butyl-2-phenyl-4H-1,3-oxazine
SMILESCCCCC1=CCN=C(c2ccccc2)O1
InChIInChI=1S/C14H17NO/c1-2-3-9-13-10-11-15-14(16-13)12-7-5-4-6-8-12/h4-8,10H,2-3,9,11H2,1H3
InChIKeySWQVXNITAWNXCG-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.54
Rot. Bonds4

About 6-butyl-2-phenyl-4H-1,3-oxazine

6-butyl-2-phenyl-4H-1,3-oxazine (PubChem CID 54769462) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 6-butyl-2-phenyl-4H-1,3-oxazine.

Molecular Properties

Compound Name6-butyl-2-phenyl-4H-1,3-oxazine
PubChem CID54769462
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name6-butyl-2-phenyl-4H-1,3-oxazine
SMILESCCCCC1=CCN=C(c2ccccc2)O1
InChIInChI=1S/C14H17NO/c1-2-3-9-13-10-11-15-14(16-13)12-7-5-4-6-8-12/h4-8,10H,2-3,9,11H2,1H3
InChIKeySWQVXNITAWNXCG-UHFFFAOYSA-N
XLogP3.54
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-butyl-5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 5102402
4-butyl-6-phenylpyrimidine
CID 71620017
1,1'-biphenyl;hexadecane
CID 173308514
1-butyl-4-phenylbenzene;ethane
CID 143743409
4-butyl-2-phenyl-4H-1,3-oxazol-5-one;pentane
CID 123819241
4-butyl-3-phenyl-1,2-oxazole
CID 20616768
4-butyl-5-phenyl-1,3-oxazole
CID 119082964
5-butyl-2-phenyl-1,3-thiazole
CID 67548106
butylbenzene;hydroxylamine
CID 175142403
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
2-phenyl-4H-1,3-oxazole-5-thione
CID 163499090
1,3-dibutyl-2-phenylbenzene
CID 15421912

Frequently Asked Questions

What is the IUPAC name of 6-butyl-2-phenyl-4H-1,3-oxazine?
The IUPAC name of 6-butyl-2-phenyl-4H-1,3-oxazine (CID 54769462) is 6-butyl-2-phenyl-4H-1,3-oxazine.
What is the SMILES notation for 6-butyl-2-phenyl-4H-1,3-oxazine?
The canonical SMILES for 6-butyl-2-phenyl-4H-1,3-oxazine is CCCCC1=CCN=C(c2ccccc2)O1.
What is the InChIKey of 6-butyl-2-phenyl-4H-1,3-oxazine?
The InChIKey is SWQVXNITAWNXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-3-9-13-10-11-15-14(16-13)12-7-5-4-6-8-12/h4-8,10H,2-3,9,11H2,1H3.
What are the key properties of 6-butyl-2-phenyl-4H-1,3-oxazine?
6-butyl-2-phenyl-4H-1,3-oxazine has a molecular weight of 215.30 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2-phenyl-4H-1,3-oxazine is sourced from PubChem (CID 54769462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).