(5S)-3-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C14H19N5O3 — CID 95894343

IUPAC(5S)-3-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1=NO[C@H](C(=O)NCc2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C14H19N5O3/c1-10-6-12(22-18-10)14(20)15-8-11-7-13(17-9-16-11)19-2-4-21-5-3-19/h7,9,12H,2-6,8H2,1H3,(H,15,20)/t12-/m0/s1
InChIKeyYIRLWMFHLRLZAX-LBPRGKRZSA-N
MW305.34 g/mol
LogP0.09
Rot. Bonds4

About (5S)-3-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-3-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 95894343) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is (5S)-3-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID95894343
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name(5S)-3-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1=NO[C@H](C(=O)NCc2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C14H19N5O3/c1-10-6-12(22-18-10)14(20)15-8-11-7-13(17-9-16-11)19-2-4-21-5-3-19/h7,9,12H,2-6,8H2,1H3,(H,15,20)/t12-/m0/s1
InChIKeyYIRLWMFHLRLZAX-LBPRGKRZSA-N
XLogP0.09
TPSA88.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5S)-3-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

2-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-5-propan-2-ylfuran-3-carboxamide
CID 70712162
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CID 70714984
(2R)-N-cyclopentyl-2-[(6-morpholin-4-ylpyrimidin-4-yl)methylamino]butanamide
CID 95871432
N-[(6-methyl-2-pyridinyl)methyl]-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 136527153
(2R)-2-(benzimidazol-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide
CID 95862882
N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70743209
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-2-carboxamide
CID 121137175
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]cyclopropanecarboxamide
CID 71807461
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 91966875
4-[6-[[(4R)-azepan-4-yl]methyl]pyrimidin-4-yl]morpholine
CID 95846408
N-methyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)methanamine
CID 83878191
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde
CID 112857021

Frequently Asked Questions

What is the IUPAC name of (5S)-3-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 95894343) is (5S)-3-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CC1=NO[C@H](C(=O)NCc2cc(N3CCOCC3)ncn2)C1.
What is the InChIKey of (5S)-3-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is YIRLWMFHLRLZAX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-10-6-12(22-18-10)14(20)15-8-11-7-13(17-9-16-11)19-2-4-21-5-3-19/h7,9,12H,2-6,8H2,1H3,(H,15,20)/t12-/m0/s1.
What are the key properties of (5S)-3-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-3-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95894343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).