N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide

C17H23FN6O2 — CID 128994764

IUPACN-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)no1
InChIInChI=1S/C17H23FN6O2/c1-11-7-14(21-26-11)16(25)23(4)10-13-8-12(18)9-24(13)15-5-6-19-17(20-15)22(2)3/h5-7,12-13H,8-10H2,1-4H3/t12-,13-/m0/s1
InChIKeyZZMBCKOGVQFSDF-STQMWFEESA-N
MW362.41 g/mol
LogP1.53
Rot. Bonds5

About N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide

N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 128994764) has the molecular formula C17H23FN6O2 and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID128994764
Molecular FormulaC17H23FN6O2
Molecular Weight362.41 g/mol
Exact Mass362.19
IUPAC NameN-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)no1
InChIInChI=1S/C17H23FN6O2/c1-11-7-14(21-26-11)16(25)23(4)10-13-8-12(18)9-24(13)15-5-6-19-17(20-15)22(2)3/h5-7,12-13H,8-10H2,1-4H3/t12-,13-/m0/s1
InChIKeyZZMBCKOGVQFSDF-STQMWFEESA-N
XLogP1.53
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide (CID 128994764) is N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)no1.
What is the InChIKey of N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZZMBCKOGVQFSDF-STQMWFEESA-N. The full InChI is InChI=1S/C17H23FN6O2/c1-11-7-14(21-26-11)16(25)23(4)10-13-8-12(18)9-24(13)15-5-6-19-17(20-15)22(2)3/h5-7,12-13H,8-10H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 128994764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).