1-[5-formyl-1-[(2S)-1-oxopropan-2-yl]imidazol-4-yl]-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

C14H17N5O4 — CID 146490087

IUPAC1-[5-formyl-1-[(2S)-1-oxopropan-2-yl]imidazol-4-yl]-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CNC(=O)N(C)c2ncn([C@@H](C)C=O)c2C=O)no1
InChIInChI=1S/C14H17N5O4/c1-9(6-20)19-8-16-13(12(19)7-21)18(3)14(22)15-5-11-4-10(2)23-17-11/h4,6-9H,5H2,1-3H3,(H,15,22)/t9-/m0/s1
InChIKeySKBRZENWDJANOH-VIFPVBQESA-N
MW319.32 g/mol
LogP1.10
Rot. Bonds6

About 1-[5-formyl-1-[(2S)-1-oxopropan-2-yl]imidazol-4-yl]-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

1-[5-formyl-1-[(2S)-1-oxopropan-2-yl]imidazol-4-yl]-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 146490087) has the molecular formula C14H17N5O4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 1-[5-formyl-1-[(2S)-1-oxopropan-2-yl]imidazol-4-yl]-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[5-formyl-1-[(2S)-1-oxopropan-2-yl]imidazol-4-yl]-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
PubChem CID146490087
Molecular FormulaC14H17N5O4
Molecular Weight319.32 g/mol
Exact Mass319.13
IUPAC Name1-[5-formyl-1-[(2S)-1-oxopropan-2-yl]imidazol-4-yl]-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CNC(=O)N(C)c2ncn([C@@H](C)C=O)c2C=O)no1
InChIInChI=1S/C14H17N5O4/c1-9(6-20)19-8-16-13(12(19)7-21)18(3)14(22)15-5-11-4-10(2)23-17-11/h4,6-9H,5H2,1-3H3,(H,15,22)/t9-/m0/s1
InChIKeySKBRZENWDJANOH-VIFPVBQESA-N
XLogP1.10
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[5-formyl-1-[(2S)-1-oxopropan-2-yl]imidazol-4-yl]-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea with MolForge

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Related Compounds

(2S)-2-[5-formyl-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]imidazol-1-yl]propanamide
CID 163920950
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea
CID 110747518
2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid
CID 113416559
N,N-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]acetamide
CID 60698204
N-ethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]acetamide
CID 60695514
3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 47728425
(E)-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic acid
CID 103243708
1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 110747513
4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 82012849
(Z)-2,3-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]-4-oxobut-2-enoic acid
CID 55168124
3-[2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]thiophen-3-yl]prop-2-enoic acid
CID 77018568
2-amino-3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 76923478

Frequently Asked Questions

What is the IUPAC name of 1-[5-formyl-1-[(2S)-1-oxopropan-2-yl]imidazol-4-yl]-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 1-[5-formyl-1-[(2S)-1-oxopropan-2-yl]imidazol-4-yl]-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (CID 146490087) is 1-[5-formyl-1-[(2S)-1-oxopropan-2-yl]imidazol-4-yl]-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[5-formyl-1-[(2S)-1-oxopropan-2-yl]imidazol-4-yl]-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 1-[5-formyl-1-[(2S)-1-oxopropan-2-yl]imidazol-4-yl]-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is Cc1cc(CNC(=O)N(C)c2ncn([C@@H](C)C=O)c2C=O)no1.
What is the InChIKey of 1-[5-formyl-1-[(2S)-1-oxopropan-2-yl]imidazol-4-yl]-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is SKBRZENWDJANOH-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17N5O4/c1-9(6-20)19-8-16-13(12(19)7-21)18(3)14(22)15-5-11-4-10(2)23-17-11/h4,6-9H,5H2,1-3H3,(H,15,22)/t9-/m0/s1.
What are the key properties of 1-[5-formyl-1-[(2S)-1-oxopropan-2-yl]imidazol-4-yl]-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
1-[5-formyl-1-[(2S)-1-oxopropan-2-yl]imidazol-4-yl]-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 319.32 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-formyl-1-[(2S)-1-oxopropan-2-yl]imidazol-4-yl]-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 146490087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).