[1-[4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butylamino]-3-oxopropan-2-yl]carbamic acid

C15H22N4O5 — CID 118948983

IUPAC[1-[4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butylamino]-3-oxopropan-2-yl]carbamic acid
SMILESO=CC(CNCCCCNC(=O)c1cc(C2CC2)on1)NC(=O)O
InChIInChI=1S/C15H22N4O5/c20-9-11(18-15(22)23)8-16-5-1-2-6-17-14(21)12-7-13(24-19-12)10-3-4-10/h7,9-11,16,18H,1-6,8H2,(H,17,21)(H,22,23)
InChIKeyFSXWUTCVLIMGFD-UHFFFAOYSA-N
MW338.36 g/mol
LogP0.49
Rot. Bonds11

About [1-[4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butylamino]-3-oxopropan-2-yl]carbamic acid

[1-[4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butylamino]-3-oxopropan-2-yl]carbamic acid (PubChem CID 118948983) has the molecular formula C15H22N4O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is [1-[4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butylamino]-3-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butylamino]-3-oxopropan-2-yl]carbamic acid
PubChem CID118948983
Molecular FormulaC15H22N4O5
Molecular Weight338.36 g/mol
Exact Mass338.16
IUPAC Name[1-[4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butylamino]-3-oxopropan-2-yl]carbamic acid
SMILESO=CC(CNCCCCNC(=O)c1cc(C2CC2)on1)NC(=O)O
InChIInChI=1S/C15H22N4O5/c20-9-11(18-15(22)23)8-16-5-1-2-6-17-14(21)12-7-13(24-19-12)10-3-4-10/h7,9-11,16,18H,1-6,8H2,(H,17,21)(H,22,23)
InChIKeyFSXWUTCVLIMGFD-UHFFFAOYSA-N
XLogP0.49
TPSA133.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 34140596
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243121
N-[6-(2-aminoanilino)-6-oxohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 45137892
N-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119529507
6-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65284499
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 43469491
N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 6621450
N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 115636972
N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 91624378
[4-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]piperidin-1-yl]-3-methyl-4-oxobutan-2-yl]carbamic acid
CID 118948589
3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid
CID 166241795
5-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
CID 79252020

Frequently Asked Questions

What is the IUPAC name of [1-[4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butylamino]-3-oxopropan-2-yl]carbamic acid?
The IUPAC name of [1-[4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butylamino]-3-oxopropan-2-yl]carbamic acid (CID 118948983) is [1-[4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butylamino]-3-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butylamino]-3-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [1-[4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butylamino]-3-oxopropan-2-yl]carbamic acid is O=CC(CNCCCCNC(=O)c1cc(C2CC2)on1)NC(=O)O.
What is the InChIKey of [1-[4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butylamino]-3-oxopropan-2-yl]carbamic acid?
The InChIKey is FSXWUTCVLIMGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O5/c20-9-11(18-15(22)23)8-16-5-1-2-6-17-14(21)12-7-13(24-19-12)10-3-4-10/h7,9-11,16,18H,1-6,8H2,(H,17,21)(H,22,23).
What are the key properties of [1-[4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butylamino]-3-oxopropan-2-yl]carbamic acid?
[1-[4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butylamino]-3-oxopropan-2-yl]carbamic acid has a molecular weight of 338.36 g/mol, XLogP of 0.49, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butylamino]-3-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 118948983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).