N-cyclopropyl-N-[1-[(E)-N'-hydroxycarbamimidoyl]piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide

C19H23N5O3 — CID 88923825

IUPACN-cyclopropyl-N-[1-[(E)-N'-hydroxycarbamimidoyl]piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide
SMILESN/C(=N\O)N1CCC(N(C(=O)c2ccc(-c3cnco3)cc2)C2CC2)CC1
InChIInChI=1S/C19H23N5O3/c20-19(22-26)23-9-7-16(8-10-23)24(15-5-6-15)18(25)14-3-1-13(2-4-14)17-11-21-12-27-17/h1-4,11-12,15-16,26H,5-10H2,(H2,20,22)
InChIKeyPGGHJNAIHFEWNP-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.11
Rot. Bonds4

About N-cyclopropyl-N-[1-[(E)-N'-hydroxycarbamimidoyl]piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide

N-cyclopropyl-N-[1-[(E)-N'-hydroxycarbamimidoyl]piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide (PubChem CID 88923825) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[(E)-N'-hydroxycarbamimidoyl]piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[(E)-N'-hydroxycarbamimidoyl]piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide
PubChem CID88923825
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-cyclopropyl-N-[1-[(E)-N'-hydroxycarbamimidoyl]piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide
SMILESN/C(=N\O)N1CCC(N(C(=O)c2ccc(-c3cnco3)cc2)C2CC2)CC1
InChIInChI=1S/C19H23N5O3/c20-19(22-26)23-9-7-16(8-10-23)24(15-5-6-15)18(25)14-3-1-13(2-4-14)17-11-21-12-27-17/h1-4,11-12,15-16,26H,5-10H2,(H2,20,22)
InChIKeyPGGHJNAIHFEWNP-UHFFFAOYSA-N
XLogP2.11
TPSA108.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[(E)-N'-hydroxycarbamimidoyl]piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide?
The IUPAC name of N-cyclopropyl-N-[1-[(E)-N'-hydroxycarbamimidoyl]piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide (CID 88923825) is N-cyclopropyl-N-[1-[(E)-N'-hydroxycarbamimidoyl]piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[1-[(E)-N'-hydroxycarbamimidoyl]piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide?
The canonical SMILES for N-cyclopropyl-N-[1-[(E)-N'-hydroxycarbamimidoyl]piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide is N/C(=N\O)N1CCC(N(C(=O)c2ccc(-c3cnco3)cc2)C2CC2)CC1.
What is the InChIKey of N-cyclopropyl-N-[1-[(E)-N'-hydroxycarbamimidoyl]piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide?
The InChIKey is PGGHJNAIHFEWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c20-19(22-26)23-9-7-16(8-10-23)24(15-5-6-15)18(25)14-3-1-13(2-4-14)17-11-21-12-27-17/h1-4,11-12,15-16,26H,5-10H2,(H2,20,22).
What are the key properties of N-cyclopropyl-N-[1-[(E)-N'-hydroxycarbamimidoyl]piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide?
N-cyclopropyl-N-[1-[(E)-N'-hydroxycarbamimidoyl]piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide has a molecular weight of 369.43 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[(E)-N'-hydroxycarbamimidoyl]piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide is sourced from PubChem (CID 88923825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).