2-[(Z)-N'-hydroxycarbamimidoyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpentanamide

C14H24N4O3 — CID 106375729

IUPAC2-[(Z)-N'-hydroxycarbamimidoyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NCc1ncc(C)o1)/C(N)=N/O
InChIInChI=1S/C14H24N4O3/c1-4-6-14(7-5-2,12(15)18-20)13(19)17-9-11-16-8-10(3)21-11/h8,20H,4-7,9H2,1-3H3,(H2,15,18)(H,17,19)
InChIKeyFOGKVDNEWOCIPV-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.93
Rot. Bonds8

About 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpentanamide

2-[(Z)-N'-hydroxycarbamimidoyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpentanamide (PubChem CID 106375729) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpentanamide.

Molecular Properties

Compound Name2-[(Z)-N'-hydroxycarbamimidoyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpentanamide
PubChem CID106375729
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name2-[(Z)-N'-hydroxycarbamimidoyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NCc1ncc(C)o1)/C(N)=N/O
InChIInChI=1S/C14H24N4O3/c1-4-6-14(7-5-2,12(15)18-20)13(19)17-9-11-16-8-10(3)21-11/h8,20H,4-7,9H2,1-3H3,(H2,15,18)(H,17,19)
InChIKeyFOGKVDNEWOCIPV-UHFFFAOYSA-N
XLogP1.93
TPSA113.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106375701
2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-propylpentanamide
CID 76989091
2,2,3,3-tetrafluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 103737118
1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 83622965
3-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]hexanamide
CID 106371365
4-amino-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
CID 103811604
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106375720
N'-hydroxy-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanimidamide
CID 106372811
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797047
2-(tert-butylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 103726080
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 76980119

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpentanamide?
The IUPAC name of 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpentanamide (CID 106375729) is 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpentanamide.
What is the SMILES notation for 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpentanamide?
The canonical SMILES for 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpentanamide is CCCC(CCC)(C(=O)NCc1ncc(C)o1)/C(N)=N/O.
What is the InChIKey of 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpentanamide?
The InChIKey is FOGKVDNEWOCIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-4-6-14(7-5-2,12(15)18-20)13(19)17-9-11-16-8-10(3)21-11/h8,20H,4-7,9H2,1-3H3,(H2,15,18)(H,17,19).
What are the key properties of 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpentanamide?
2-[(Z)-N'-hydroxycarbamimidoyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpentanamide has a molecular weight of 296.37 g/mol, XLogP of 1.93, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpentanamide is sourced from PubChem (CID 106375729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).