N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide

C16H22FN5O2 — CID 128966827

IUPACN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C
InChIInChI=1S/C16H22FN5O2/c1-11-15(18-10-24-11)16(23)20(2)8-14-6-12(17)7-22(14)9-13-4-5-19-21(13)3/h4-5,10,12,14H,6-9H2,1-3H3/t12-,14-/m0/s1
InChIKeyNBQXSFSSTGOTHU-JSGCOSHPSA-N
MW335.38 g/mol
LogP1.40
Rot. Bonds5

About N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide

N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide (PubChem CID 128966827) has the molecular formula C16H22FN5O2 and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
PubChem CID128966827
Molecular FormulaC16H22FN5O2
Molecular Weight335.38 g/mol
Exact Mass335.18
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C
InChIInChI=1S/C16H22FN5O2/c1-11-15(18-10-24-11)16(23)20(2)8-14-6-12(17)7-22(14)9-13-4-5-19-21(13)3/h4-5,10,12,14H,6-9H2,1-3H3/t12-,14-/m0/s1
InChIKeyNBQXSFSSTGOTHU-JSGCOSHPSA-N
XLogP1.40
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide (CID 128966827) is N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is NBQXSFSSTGOTHU-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H22FN5O2/c1-11-15(18-10-24-11)16(23)20(2)8-14-6-12(17)7-22(14)9-13-4-5-19-21(13)3/h4-5,10,12,14H,6-9H2,1-3H3/t12-,14-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide?
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 128966827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).