benzyl N-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]cyclobutyl]carbamate

C19H25N3O3 — CID 103393541

IUPACbenzyl N-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]cyclobutyl]carbamate
SMILESCc1noc(C)c1C(C)NC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H25N3O3/c1-12(18-13(2)22-25-14(18)3)20-16-9-17(10-16)21-19(23)24-11-15-7-5-4-6-8-15/h4-8,12,16-17,20H,9-11H2,1-3H3,(H,21,23)
InChIKeyMJCONWJBMJTZCA-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.40
Rot. Bonds6

About benzyl N-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]cyclobutyl]carbamate

benzyl N-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]cyclobutyl]carbamate (PubChem CID 103393541) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is benzyl N-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]cyclobutyl]carbamate
PubChem CID103393541
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Namebenzyl N-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]cyclobutyl]carbamate
SMILESCc1noc(C)c1C(C)NC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H25N3O3/c1-12(18-13(2)22-25-14(18)3)20-16-9-17(10-16)21-19(23)24-11-15-7-5-4-6-8-15/h4-8,12,16-17,20H,9-11H2,1-3H3,(H,21,23)
InChIKeyMJCONWJBMJTZCA-UHFFFAOYSA-N
XLogP3.40
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate
CID 103393109
benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate
CID 103392982
benzyl N-[3-[1-(4-chlorophenyl)ethylamino]cyclobutyl]carbamate
CID 103392858
benzyl N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclobutyl]carbamate
CID 103393591
benzyl N-[3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate
CID 103393709
benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate
CID 103393619
benzyl N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]cyclobutyl]carbamate
CID 103393770
benzyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobutyl]carbamate
CID 103393607
benzyl N-[3-(pent-4-en-2-ylamino)cyclobutyl]carbamate
CID 103393753
benzyl N-[3-(1-hydroxybutan-2-ylamino)cyclobutyl]carbamate
CID 103392923
benzyl N-[3-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate
CID 103393723

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]cyclobutyl]carbamate (CID 103393541) is benzyl N-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]cyclobutyl]carbamate is Cc1noc(C)c1C(C)NC1CC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]cyclobutyl]carbamate?
The InChIKey is MJCONWJBMJTZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12(18-13(2)22-25-14(18)3)20-16-9-17(10-16)21-19(23)24-11-15-7-5-4-6-8-15/h4-8,12,16-17,20H,9-11H2,1-3H3,(H,21,23).
What are the key properties of benzyl N-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]cyclobutyl]carbamate?
benzyl N-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]cyclobutyl]carbamate has a molecular weight of 343.43 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]cyclobutyl]carbamate is sourced from PubChem (CID 103393541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).