N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)aniline

C14H16N4O — CID 22493349

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)aniline
SMILESCc1cc(-c2ccccc2NCC2=NCCN2)on1
InChIInChI=1S/C14H16N4O/c1-10-8-13(19-18-10)11-4-2-3-5-12(11)17-9-14-15-6-7-16-14/h2-5,8,17H,6-7,9H2,1H3,(H,15,16)
InChIKeySPPYMDUFKYIYOR-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.06
Rot. Bonds4

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)aniline

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)aniline (PubChem CID 22493349) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)aniline
PubChem CID22493349
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)aniline
SMILESCc1cc(-c2ccccc2NCC2=NCCN2)on1
InChIInChI=1S/C14H16N4O/c1-10-8-13(19-18-10)11-4-2-3-5-12(11)17-9-14-15-6-7-16-14/h2-5,8,17H,6-7,9H2,1H3,(H,15,16)
InChIKeySPPYMDUFKYIYOR-UHFFFAOYSA-N
XLogP2.06
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,2-oxazol-5-yl)aniline
CID 22493280
5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole
CID 11990715
3,5-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole
CID 11990689
3,5-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole
CID 16658984
3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole
CID 16659118
4-methyl-N-[2-(3-methyl-5-isoxazolyl)-1-phenylethyl]aniline
CID 11842385
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,2-oxazol-4-yl)aniline
CID 44369647
1-methyl-5,6-dihydro-4H-benzo[b]isoxazolo[4,5-d]azepine
CID 72695501
N,N-Dimethyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine--hydrogen chloride (1/1)
CID 13912
Isoxazole, 3-(diethylaminomethyl)-5-phenyl-, hydrochloride
CID 14614
Isoxazole, 5-phenyl-3-(1-pyrrolidinylmethyl)-, hydrochloride
CID 14618
Methyl[(5-phenyl-1,2-oxazol-3-yl)methyl]amine hydrochloride
CID 45382080

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)aniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)aniline (CID 22493349) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)aniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)aniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)aniline is Cc1cc(-c2ccccc2NCC2=NCCN2)on1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)aniline?
The InChIKey is SPPYMDUFKYIYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-8-13(19-18-10)11-4-2-3-5-12(11)17-9-14-15-6-7-16-14/h2-5,8,17H,6-7,9H2,1H3,(H,15,16).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)aniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)aniline has a molecular weight of 256.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)aniline is sourced from PubChem (CID 22493349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).