benzyl N-[3-[[2-(1-aminopropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate

C18H24N4O4 — CID 3833643

IUPACbenzyl N-[3-[[2-(1-aminopropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate
SMILESCCC(N)c1nc(C(=O)NCCCNC(=O)OCc2ccccc2)co1
InChIInChI=1S/C18H24N4O4/c1-2-14(19)17-22-15(12-25-17)16(23)20-9-6-10-21-18(24)26-11-13-7-4-3-5-8-13/h3-5,7-8,12,14H,2,6,9-11,19H2,1H3,(H,20,23)(H,21,24)
InChIKeyXQWSXKLZIAFHCH-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.13
Rot. Bonds9

About benzyl N-[3-[[2-(1-aminopropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate

benzyl N-[3-[[2-(1-aminopropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate (PubChem CID 3833643) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is benzyl N-[3-[[2-(1-aminopropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[[2-(1-aminopropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate
PubChem CID3833643
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Namebenzyl N-[3-[[2-(1-aminopropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate
SMILESCCC(N)c1nc(C(=O)NCCCNC(=O)OCc2ccccc2)co1
InChIInChI=1S/C18H24N4O4/c1-2-14(19)17-22-15(12-25-17)16(23)20-9-6-10-21-18(24)26-11-13-7-4-3-5-8-13/h3-5,7-8,12,14H,2,6,9-11,19H2,1H3,(H,20,23)(H,21,24)
InChIKeyXQWSXKLZIAFHCH-UHFFFAOYSA-N
XLogP2.13
TPSA119.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[3-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate
CID 3850448
2-[(1S)-1-amino-5-(phenylmethoxycarbonylamino)pentyl]-1,3-oxazole-4-carboxylic acid
CID 101068216
2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3665798
benzyl 2-[[2-[1-amino-2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carbonyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate
CID 3689358
2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 3798183
2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3270325
2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide
CID 3865890
2-(1-amino-2-hydroxyethyl)-N-(2-benzylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3704491
2-(1-aminopropyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3813364
benzyl 2-[[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoate
CID 3798249
2-(1-aminopentyl)-N-(2-phenoxyethyl)-1,3-oxazole-4-carboxamide
CID 3731660
2-(1-aminopropyl)-N-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3807008

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[[2-(1-aminopropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate?
The IUPAC name of benzyl N-[3-[[2-(1-aminopropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate (CID 3833643) is benzyl N-[3-[[2-(1-aminopropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate.
What is the SMILES notation for benzyl N-[3-[[2-(1-aminopropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate?
The canonical SMILES for benzyl N-[3-[[2-(1-aminopropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate is CCC(N)c1nc(C(=O)NCCCNC(=O)OCc2ccccc2)co1.
What is the InChIKey of benzyl N-[3-[[2-(1-aminopropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate?
The InChIKey is XQWSXKLZIAFHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-2-14(19)17-22-15(12-25-17)16(23)20-9-6-10-21-18(24)26-11-13-7-4-3-5-8-13/h3-5,7-8,12,14H,2,6,9-11,19H2,1H3,(H,20,23)(H,21,24).
What are the key properties of benzyl N-[3-[[2-(1-aminopropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate?
benzyl N-[3-[[2-(1-aminopropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate has a molecular weight of 360.41 g/mol, XLogP of 2.13, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[[2-(1-aminopropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate is sourced from PubChem (CID 3833643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).