N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-4-phenyloxan-4-amine

C22H24N2O2 — CID 56790452

IUPACN-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-4-phenyloxan-4-amine
SMILESCc1oc(-c2ccccc2)nc1CNC1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H24N2O2/c1-17-20(24-21(26-17)18-8-4-2-5-9-18)16-23-22(12-14-25-15-13-22)19-10-6-3-7-11-19/h2-11,23H,12-16H2,1H3
InChIKeyRQCRSRZYFLAYPH-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.45
Rot. Bonds5

About N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-4-phenyloxan-4-amine

N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-4-phenyloxan-4-amine (PubChem CID 56790452) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-4-phenyloxan-4-amine.

Molecular Properties

Compound NameN-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-4-phenyloxan-4-amine
PubChem CID56790452
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-4-phenyloxan-4-amine
SMILESCc1oc(-c2ccccc2)nc1CNC1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H24N2O2/c1-17-20(24-21(26-17)18-8-4-2-5-9-18)16-23-22(12-14-25-15-13-22)19-10-6-3-7-11-19/h2-11,23H,12-16H2,1H3
InChIKeyRQCRSRZYFLAYPH-UHFFFAOYSA-N
XLogP4.45
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 20955490
N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]oxirane-2-carboxamide
CID 154880217
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde
CID 18984662
4-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 20955421
4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine
CID 20930528
1-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24623558
1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 20955623
N-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-phenyloxan-4-amine
CID 91762948
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea
CID 46344183
4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole
CID 91508393
N'-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanimidamide
CID 57365509

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-4-phenyloxan-4-amine?
The IUPAC name of N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-4-phenyloxan-4-amine (CID 56790452) is N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-4-phenyloxan-4-amine.
What is the SMILES notation for N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-4-phenyloxan-4-amine?
The canonical SMILES for N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-4-phenyloxan-4-amine is Cc1oc(-c2ccccc2)nc1CNC1(c2ccccc2)CCOCC1.
What is the InChIKey of N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-4-phenyloxan-4-amine?
The InChIKey is RQCRSRZYFLAYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-17-20(24-21(26-17)18-8-4-2-5-9-18)16-23-22(12-14-25-15-13-22)19-10-6-3-7-11-19/h2-11,23H,12-16H2,1H3.
What are the key properties of N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-4-phenyloxan-4-amine?
N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-4-phenyloxan-4-amine has a molecular weight of 348.45 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-4-phenyloxan-4-amine is sourced from PubChem (CID 56790452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).