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

C19H26N4O4 — CID 3850448

IUPACbenzyl N-[3-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate
SMILESCC(C)C(N)c1nc(C(=O)NCCCNC(=O)OCc2ccccc2)co1
InChIInChI=1S/C19H26N4O4/c1-13(2)16(20)18-23-15(12-26-18)17(24)21-9-6-10-22-19(25)27-11-14-7-4-3-5-8-14/h3-5,7-8,12-13,16H,6,9-11,20H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySWFLGUNNGVOIJK-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.38
Rot. Bonds9

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

benzyl N-[3-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate (PubChem CID 3850448) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is benzyl N-[3-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate
PubChem CID3850448
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Namebenzyl N-[3-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate
SMILESCC(C)C(N)c1nc(C(=O)NCCCNC(=O)OCc2ccccc2)co1
InChIInChI=1S/C19H26N4O4/c1-13(2)16(20)18-23-15(12-26-18)17(24)21-9-6-10-22-19(25)27-11-14-7-4-3-5-8-14/h3-5,7-8,12-13,16H,6,9-11,20H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySWFLGUNNGVOIJK-UHFFFAOYSA-N
XLogP2.38
TPSA119.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.38
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-aminopropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate
CID 3833643
2-[(1S)-1-amino-5-(phenylmethoxycarbonylamino)pentyl]-1,3-oxazole-4-carboxylic acid
CID 101068216
2-(1-amino-2-methylpropyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3839797
benzyl 2-[[2-[1-amino-2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carbonyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate
CID 3689358
2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide
CID 3836314
2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide
CID 5017733
benzyl 2-[[2-(1-amino-2-phenylethyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoate
CID 3798181
2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3788399
2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 3798183
2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3665798
2-(1-amino-2-phenylethyl)-N-(3-methylbutan-2-yl)-1,3-oxazole-4-carboxamide
CID 3869671
2-(1-amino-2-hydroxypropyl)-N-dodecyl-1,3-oxazole-4-carboxamide
CID 3868123

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate?
The IUPAC name of benzyl N-[3-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate (CID 3850448) is benzyl N-[3-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate.
What is the SMILES notation for benzyl N-[3-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate?
The canonical SMILES for benzyl N-[3-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate is CC(C)C(N)c1nc(C(=O)NCCCNC(=O)OCc2ccccc2)co1.
What is the InChIKey of benzyl N-[3-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate?
The InChIKey is SWFLGUNNGVOIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-13(2)16(20)18-23-15(12-26-18)17(24)21-9-6-10-22-19(25)27-11-14-7-4-3-5-8-14/h3-5,7-8,12-13,16H,6,9-11,20H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of benzyl N-[3-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate?
benzyl N-[3-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate has a molecular weight of 374.44 g/mol, XLogP of 2.38, 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-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate is sourced from PubChem (CID 3850448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).