N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine

C16H20N4O — CID 62350283

IUPACN-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCCn1ccnc1CNc1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C16H20N4O/c1-4-20-8-7-17-15(20)10-18-12-5-6-14-13(9-12)19-16(21-14)11(2)3/h5-9,11,18H,4,10H2,1-3H3
InChIKeyFVTSGMJPNWGUGG-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.78
Rot. Bonds5

About N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine

N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine (PubChem CID 62350283) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
PubChem CID62350283
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCCn1ccnc1CNc1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C16H20N4O/c1-4-20-8-7-17-15(20)10-18-12-5-6-14-13(9-12)19-16(21-14)11(2)3/h5-9,11,18H,4,10H2,1-3H3
InChIKeyFVTSGMJPNWGUGG-UHFFFAOYSA-N
XLogP3.78
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 115762013
N-[(3-methylimidazol-4-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 66118117
N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzodioxol-5-amine
CID 62356540
3-chloro-N-[(1-ethylimidazol-2-yl)methyl]-4-methylaniline
CID 62357562
N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzothiazol-6-amine
CID 103756695
3-bromo-N-[(1-ethylimidazol-2-yl)methyl]-4-fluoroaniline
CID 115693757
3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline
CID 62356031
N-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropoxy)aniline
CID 62352079
2-butyl-N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide
CID 24794271
[3-[(1-ethylimidazol-2-yl)methylamino]phenyl]methanol
CID 62357927
2-chloro-5-[(1-ethylimidazol-2-yl)methylamino]benzonitrile
CID 62357250
N-[(1-ethylimidazol-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline
CID 62351165

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine (CID 62350283) is N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine is CCn1ccnc1CNc1ccc2oc(C(C)C)nc2c1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine?
The InChIKey is FVTSGMJPNWGUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-20-8-7-17-15(20)10-18-12-5-6-14-13(9-12)19-16(21-14)11(2)3/h5-9,11,18H,4,10H2,1-3H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine?
N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine has a molecular weight of 284.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 62350283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).