N-[3-[amino-[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]amino]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide

C17H21N5O3 — CID 144981668

IUPACN-[3-[amino-[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]amino]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESN/C=C(/CO)N(N)C1CC(NC(=O)c2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C17H21N5O3/c18-9-14(10-23)22(19)13-6-12(7-13)20-17(24)15-8-16(25-21-15)11-4-2-1-3-5-11/h1-5,8-9,12-13,23H,6-7,10,18-19H2,(H,20,24)/b14-9-
InChIKeyAVVUWKGMKUXWCR-ZROIWOOFSA-N
MW343.39 g/mol
LogP0.57
Rot. Bonds6

About N-[3-[amino-[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]amino]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[3-[amino-[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]amino]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 144981668) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[3-[amino-[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]amino]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[amino-[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]amino]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID144981668
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-[3-[amino-[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]amino]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESN/C=C(/CO)N(N)C1CC(NC(=O)c2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C17H21N5O3/c18-9-14(10-23)22(19)13-6-12(7-13)20-17(24)15-8-16(25-21-15)11-4-2-1-3-5-11/h1-5,8-9,12-13,23H,6-7,10,18-19H2,(H,20,24)/b14-9-
InChIKeyAVVUWKGMKUXWCR-ZROIWOOFSA-N
XLogP0.57
TPSA130.64 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-aminoethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 130333086
N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 145123844
N-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 146022950
N-[3-(difluoromethoxy)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 171470028
methanol;N-(3-methylcyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide;1,3,4-thiadiazol-2-ylmethanol
CID 144981674
N-[3-[5-(1,1-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118608795
N-[3-[2-(hydroxymethyl)-1,3-oxazol-5-yl]cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 130327566
(Z)-4-amino-3-hydrazinylbut-3-en-2-ol;N-cyclobutyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 144981731
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95145261
5-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 5253507
N-[2-(hydroxymethyl)cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 103751269
N-(2-amino-1-cyclohexylethyl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119589991

Frequently Asked Questions

What is the IUPAC name of N-[3-[amino-[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]amino]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[amino-[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]amino]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 144981668) is N-[3-[amino-[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]amino]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[amino-[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]amino]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[amino-[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]amino]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide is N/C=C(/CO)N(N)C1CC(NC(=O)c2cc(-c3ccccc3)on2)C1.
What is the InChIKey of N-[3-[amino-[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]amino]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is AVVUWKGMKUXWCR-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H21N5O3/c18-9-14(10-23)22(19)13-6-12(7-13)20-17(24)15-8-16(25-21-15)11-4-2-1-3-5-11/h1-5,8-9,12-13,23H,6-7,10,18-19H2,(H,20,24)/b14-9-.
What are the key properties of N-[3-[amino-[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]amino]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[3-[amino-[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]amino]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 0.57, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[amino-[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]amino]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 144981668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).