N-[(2R)-2-[[[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide

C18H26N6O4 — CID 87264154

IUPACN-[(2R)-2-[[[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1nccc(-c2c(C)noc2C)n1
InChIInChI=1S/C18H26N6O4/c1-4-5-6-7-14(10-24(27)11-25)17(26)21-22-18-19-9-8-15(20-18)16-12(2)23-28-13(16)3/h8-9,11,14,27H,4-7,10H2,1-3H3,(H,21,26)(H,19,20,22)/t14-/m1/s1
InChIKeyQWOLFLYGRYJPOI-CQSZACIVSA-N
MW390.44 g/mol
LogP2.24
Rot. Bonds11

About N-[(2R)-2-[[[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide

N-[(2R)-2-[[[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 87264154) has the molecular formula C18H26N6O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[(2R)-2-[[[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-[[[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
PubChem CID87264154
Molecular FormulaC18H26N6O4
Molecular Weight390.44 g/mol
Exact Mass390.20
IUPAC NameN-[(2R)-2-[[[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1nccc(-c2c(C)noc2C)n1
InChIInChI=1S/C18H26N6O4/c1-4-5-6-7-14(10-24(27)11-25)17(26)21-22-18-19-9-8-15(20-18)16-12(2)23-28-13(16)3/h8-9,11,14,27H,4-7,10H2,1-3H3,(H,21,26)(H,19,20,22)/t14-/m1/s1
InChIKeyQWOLFLYGRYJPOI-CQSZACIVSA-N
XLogP2.24
TPSA133.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N-[(2R)-2-[[(4-pyridin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide
CID 87264087
N-[(2R)-2-[[[4-(furan-3-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264425
N-hydroxy-N-[2-[[[4-(2,3,4-trimethoxyphenyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 87264534
N-[2-[[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264722
N-[(2R)-2-[[[4-[[ethyl(methyl)amino]methyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 91460080
N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide
CID 23351789
N-[(2R)-2-[[[4-(aminomethyl)-5,6-dimethylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264719
N-[(2R)-2-[(furan-3-ylamino)carbamoyl]heptyl]-N-hydroxyformamide
CID 142776027
N-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264014
(R)-cyclopropyl-ethyl-[4-[2-[2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-1,3,5-triazin-2-yl]-methylazanium
CID 91523949
N-[2-[[[4-[(1R)-1-[cyclopropyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264355
N-[2-[[(6-ethoxy-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264131

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[[[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-[[[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide (CID 87264154) is N-[(2R)-2-[[[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-[[[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-[[[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1nccc(-c2c(C)noc2C)n1.
What is the InChIKey of N-[(2R)-2-[[[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The InChIKey is QWOLFLYGRYJPOI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N6O4/c1-4-5-6-7-14(10-24(27)11-25)17(26)21-22-18-19-9-8-15(20-18)16-12(2)23-28-13(16)3/h8-9,11,14,27H,4-7,10H2,1-3H3,(H,21,26)(H,19,20,22)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-[[[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
N-[(2R)-2-[[[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 390.44 g/mol, XLogP of 2.24, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[[[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 87264154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).